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Quality Control of [ 866545-96-2 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

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Product Details of [ 866545-96-2 ]

CAS No. :	866545-96-2	MDL No. :	MFCD12403936
Formula :	C₉H₇BrN₂O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	AYSQNMFURHMHBB-UHFFFAOYSA-N
M.W :	239.07	Pubchem ID :	59699914
Synonyms :

Safety of [ 866545-96-2 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 866545-96-2 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 866545-96-2 ]
Downstream synthetic route of [ 866545-96-2 ]

[ 866545-96-2 ] Synthesis Path-Upstream 1~2

1
[ 75-36-5 ]
[ 183208-35-7 ]
[ 866545-96-2 ]

Yield	Reaction Conditions	Operation in experiment
93%	at 20℃; for 6 h;	Step 1: Synthesis of 1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-ethanone. To a stirring solution of aluminum chloride (6.77 g, 50.75 mmol) suspended in anhydrous CH₂Cl₂ (100 mL) under N₂ was added 5-bromo-1H-pyrrolo[2,3-b]pyridine (2.00 g, 10.15 mmol). The reaction solution was stirred for 1 hour at ambient temperature whereupon acetyl chloride (3.61 mL, 50.75 mmol) was added dropwise and the resulting solution was stirred for 5 more hours. The reaction was cooled to 0° C. in an ice bath and quenched carefully by addition of MeOH until the solution became clear. The reaction was concentrated under vacuum. H₂O was added and 1 N NaOH was added dropwise until the pH=4. The product was extracted into ethyl acetate and the organic layer was washed with a saturated solution of sodium potassium tartrate to remove any remaining aluminum salts. The organic layer was dried over Na₂SO₄ and concentrated under vacuum. The material was redissolved in ethyl acetate and filtered through a bed of silica gel. The filtrate was concentrated to afford the title compound as an orange solid (2.25 g, 93percent yield). ¹H NMR (500 MHz, d₆-DMSO) δ 12.70 (br s, 1H), 8.56 (d, J=2.5 Hz, 1H), 8.55 (s, 1H), 8.40 (d, J=2.5 Hz, 1H), 2.46 (s, 3H). MS: m/z 238.9/240.9 (M+H⁺).
93%	Stage #1: With aluminum (III) chloride In dichloromethane at 20℃; for 1 h; Stage #2: for 5 h;	To a stirring solution of aluminum chloride (6.77 g, 50.75 mmol) suspended in anhydrous CH₂Cl₂ (100 mL) under N₂ was added 5-bromo-1H -pyrrolo[2,3-δ]pyridine (2.00 g, 10.15 mmol). The reaction solution was stirred for 1 hour at ambient temperature whereupon acetyl chloride (3.61 mL, 50.75 mmol) was added dropwise and the resulting solution was stirred for 5 more hours. The reaction was cooled to 0 °C in an ice bath and quenched carefully by addition of MeOH until the solution became clear. The reaction was concentrated under vacuum. H₂O was added and 1 N NaOH was added dropwise until the pH = 4. The product was extracted into ethyl acetate and the organic layer was washed with a saturated solution of sodium potassium tartrate to remove any remaining aluminum salts. The organic layer was dried over Na₂SO* and concentrated under vacuum. The material was redissolved in ethyl acetate and filtered through a bed of silica gel. The filtrate was concentrated to afford the title compound as an orange <n="79"/>solid (2.25 g, 93percent yield). ¹H NMR (500 MHz, ^-DMSO) δ 12.70 (br s, 1H), 8.56 (d, J = 2.5 Hz, 1H),8.55 (s, 1H), 8.40 (d, J = 2.5 Hz, 1H), 2.46 (s, 3H). MS: m/z 238.9/240.9 (M + H⁺).
87%	Stage #1: With aluminum (III) chloride In dichloromethane at 20℃; for 1 h; Stage #2: at 20℃;	5-Bromo-1H-pyrrolo[2,3-b]pyridine (5 g, 25.2 mmol) was added to aluminum chloride (16.8 g, 126.2 mmol) in dichloromethane (200 ml) under nitrogen. The mixture was allowed to stir at room temperature for 1 hour. Acetyl chloride (9 ml, 126.2 mmol) in dichloromethane was added drop wise and the reaction was allowed to proceed at room temperature overnight. Next day the reaction was cooled to 0° C. and quenched with methanol (500 ml) until the reaction turned clear. The reaction was concentrated under vacuum and resuspended in water (300 ml). The pH was adjusted to 4 with 7N sodium hydroxide solution and then extracted with ethyl acetate (300 ml.x.3). The combined organic layers were extracted with saturated sodium potassium tartrate and brine and dried with Na₂SO₄. Silica chromatography of the crude using a gradient of ethyl acetate and hexane afforded 1-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-yl)-ethanone (5.2 g, 87percent yield). ¹H NMR (500 MHz, DMSO-d6) δ 2.48 (s, 3H), 8.41 (s, 1H), 8.57 (s, 1H), 8.58 (s, 1H). MS: m/z 241.0 (M+H⁺).

Reference： [1] Bioorganic and Medicinal Chemistry Letters, 2010, vol. 20, # 24, p. 7212 - 7215
[2] Patent: US2006/30583, 2006, A1, . Location in patent: Page/Page column 61-62
[3] Patent: WO2008/124849, 2008, A2, . Location in patent: Page/Page column 77-78
[4] Patent: US2008/261921, 2008, A1, . Location in patent: Page/Page column 141-142
[5] Patent: US2011/82138, 2011, A1, . Location in patent: Page/Page column 65
[6] Patent: WO2014/111496, 2014, A1, . Location in patent: Page/Page column 100; 101
[7] Patent: WO2016/142310, 2016, A1, . Location in patent: Page/Page column 65-66

2
[ 75-36-5 ]
[ 866545-96-2 ]

Yield	Reaction Conditions	Operation in experiment
91%	Stage #1: With aluminum (III) chloride In dichloromethane at 20℃; for 1 h; Stage #2: at 20℃; for 18 h;	7-Azaindole 13 (2.16g, 0.011 mol) was dissolved in 75 mL of dry DCM. Aluminium trichloride (4.36 g, 0.0327 mol) was added to the solution and the reaction mixture was stirred for 1 h at rt. Acetyl chloride (1.16 mL, 0.0164 mol) was adde dropwise to the mixture and stirred at rt for 18 h. 20 rnL of methanol was added and the reaction for 1 h. Concentrated in vacuo and suspended in water-EtOAc mixture. Extraction with EtOAc and drying of the organic gave, after concentration in vacuo, 2.37 g (91percent) of compound 14. 1H NMR CDCl3 9.5 (bs, 1H), 8.8 (s, 1H), 8.5 (s, 1H), 7.9 (s, 1H), 2.4 (s, 3H).

Reference： [1] Patent: WO2005/95400, 2005, A1, . Location in patent: Page/Page column 330; 331

[ 866545-96-2 ] Synthesis Path-Downstream 1~5

1
[ 75-36-5 ]
[ 866545-96-2 ]

Yield	Reaction Conditions	Operation in experiment
91%		7-Azaindole 13 (2.16g, 0.011 mol) was dissolved in 75 mL of dry DCM. Aluminium trichloride (4.36 g, 0.0327 mol) was added to the solution and the reaction mixture was stirred for 1 h at rt. Acetyl chloride (1.16 mL, 0.0164 mol) was adde dropwise to the mixture and stirred at rt for 18 h. 20 rnL of methanol was added and the reaction for 1 h. Concentrated in vacuo and suspended in water-EtOAc mixture. Extraction with EtOAc and drying of the organic gave, after concentration in vacuo, 2.37 g (91%) of compound 14. 1H NMR CDCl3 9.5 (bs, 1H), 8.8 (s, 1H), 8.5 (s, 1H), 7.9 (s, 1H), 2.4 (s, 3H).

Reference： [1]Patent: WO2005/95400,2005,A1 .Location in patent: Page/Page column 330; 331

2
[ 75-36-5 ]
[ 183208-35-7 ]
[ 866545-96-2 ]

Yield	Reaction Conditions	Operation in experiment
93%	aluminum (III) chloride; In dichloromethane; at 20℃; for 6h;	Step 1: Synthesis of 1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-ethanone. To a stirring solution of aluminum chloride (6.77 g, 50.75 mmol) suspended in anhydrous CH2Cl2 (100 mL) under N2 was added 5-bromo-1H-pyrrolo[2,3-b]pyridine (2.00 g, 10.15 mmol). The reaction solution was stirred for 1 hour at ambient temperature whereupon acetyl chloride (3.61 mL, 50.75 mmol) was added dropwise and the resulting solution was stirred for 5 more hours. The reaction was cooled to 0 C. in an ice bath and quenched carefully by addition of MeOH until the solution became clear. The reaction was concentrated under vacuum. H2O was added and 1 N NaOH was added dropwise until the pH=4. The product was extracted into ethyl acetate and the organic layer was washed with a saturated solution of sodium potassium tartrate to remove any remaining aluminum salts. The organic layer was dried over Na2SO4 and concentrated under vacuum. The material was redissolved in ethyl acetate and filtered through a bed of silica gel. The filtrate was concentrated to afford the title compound as an orange solid (2.25 g, 93% yield). 1H NMR (500 MHz, d6-DMSO) delta 12.70 (br s, 1H), 8.56 (d, J=2.5 Hz, 1H), 8.55 (s, 1H), 8.40 (d, J=2.5 Hz, 1H), 2.46 (s, 3H). MS: m/z 238.9/240.9 (M+H+).
93%		To a stirring solution of aluminum chloride (6.77 g, 50.75 mmol) suspended in anhydrous CH2Cl2 (100 mL) under N2 was added 5-bromo-1H -pyrrolo[2,3-delta]pyridine (2.00 g, 10.15 mmol). The reaction solution was stirred for 1 hour at ambient temperature whereupon acetyl chloride (3.61 mL, 50.75 mmol) was added dropwise and the resulting solution was stirred for 5 more hours. The reaction was cooled to 0 C in an ice bath and quenched carefully by addition of MeOH until the solution became clear. The reaction was concentrated under vacuum. H2O was added and 1 N NaOH was added dropwise until the pH = 4. The product was extracted into ethyl acetate and the organic layer was washed with a saturated solution of sodium potassium tartrate to remove any remaining aluminum salts. The organic layer was dried over Na2SO* and concentrated under vacuum. The material was redissolved in ethyl acetate and filtered through a bed of silica gel. The filtrate was concentrated to afford the title compound as an orange <n="79"/>solid (2.25 g, 93% yield). 1H NMR (500 MHz, ^-DMSO) delta 12.70 (br s, 1H), 8.56 (d, J = 2.5 Hz, 1H),8.55 (s, 1H), 8.40 (d, J = 2.5 Hz, 1H), 2.46 (s, 3H). MS: m/z 238.9/240.9 (M + H+).
87%		5-Bromo-1H-pyrrolo[2,3-b]pyridine (5 g, 25.2 mmol) was added to aluminum chloride (16.8 g, 126.2 mmol) in dichloromethane (200 ml) under nitrogen. The mixture was allowed to stir at room temperature for 1 hour. Acetyl chloride (9 ml, 126.2 mmol) in dichloromethane was added drop wise and the reaction was allowed to proceed at room temperature overnight. Next day the reaction was cooled to 0 C. and quenched with methanol (500 ml) until the reaction turned clear. The reaction was concentrated under vacuum and resuspended in water (300 ml). The pH was adjusted to 4 with 7N sodium hydroxide solution and then extracted with ethyl acetate (300 ml×3). The combined organic layers were extracted with saturated sodium potassium tartrate and brine and dried with Na2SO4. Silica chromatography of the crude using a gradient of ethyl acetate and hexane afforded 1-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-yl)-ethanone (5.2 g, 87% yield). 1H NMR (500 MHz, DMSO-d6) delta 2.48 (s, 3H), 8.41 (s, 1H), 8.57 (s, 1H), 8.58 (s, 1H). MS: m/z 241.0 (M+H+).

		Aluminum trichloride (846 mg) was added to a solution of 5-bromo-1H-pyrrolo[2,3-b]pyridine (250 mg) in dichloromethane (5 ml) at room temperature over 10 minutes. Subsequently, acetyl chloride (135 mul) was added and the mixture was stirred at room temperature for 5 hours. The reaction solution was poured into ice-cold water and separated by adding dichloromethane. The resulting organic layer was washed with brine and dried over anhydrous sodium sulfate. The solvent was evaporated under reduced pressure. The resulting residue was purified by silica gel column chromatography (developed with methanol-chloroform) to give the title compound (186 mg).MS (ESI) m/z: 239 (M+H)+.1H-NMR (CDCl3) delta: 2.55 (3H, s), 7.98 (1H, d, J=2.8 Hz), 8.45 (1H, d, J=2.3 Hz), 8.85 (1H, d, J=1.8 Hz), 10.28 (1H, br s).
	With aluminum (III) chloride; In dichloromethane; at 0 - 20℃;Inert atmosphere;	To a soluition of 5-bromo-lH-pyrrolo[2,3-b]pyridine(30 g, 0.15 mol) and aluminium chloride (100 g, 0.75 mol) in dichloromethane (2000 mL) was added dropwise acetyl chloride (102 mL, 1.44 mol) over 1 h under nitrogen atmosphere at 0 C. The reaction mixture was warmed to RT and stirred overnight. Methanol (150 mL) was added dropwise at 0 C, and the resulting mixture was concentrated to dryness in vacuo. The resulting crude was dissolved in ice -water, basified with saturated sodium bicarbonate to pH 4 - 5 and extracted with ethyl acetated (3 x 3000 mL). The combined organic layer were washed with brine, dried over sodium sulfate and concentrated to dryness in vacuo affording crude l-(5-bromo-lH-pyrrolo[2,3-b]pyridin-3-yl)ethanone as a yellow solid (330 g, 93 % after 10 batch repeat) used for the next step without any further purification: NMR (DMSO, 400 MHz): delta 12.675 (s, 1H), 8.537-8.543 (d, J = 2.4 Hz, 1H), 8.506 (s, 1H), 8.371-8.377 (d, J = 2.4 Hz, 1H), 2.445 (s, 3H).
	With aluminum (III) chloride; In dichloromethane; at 0 - 20℃;Inert atmosphere;	Preparative Example 6 Step 1: l-(5-bromo-lH-pyrrolo[2,3-b]pyridin-3-yl)ethanone To a soluition of 5-bromo-lH-pyrrolo[2,3-b]pyridine(30 g, 0.15 mol) and aluminium chloride (100 g, 0.75 mol) in dichloromethane (2000 mL) was added dropwise acetyl chloride (102 mL, 1.44 mol) over 1 h under nitrogen atmosphere at 0 C. The reaction mixture was warmed to RT and stirred overnight. Methanol (150 mL) was added dropwise at 0 C, and the resulting mixture was concentrated to dryness in vacuo. The resulting crude was dissolved in ice -water, basified with saturated sodium bicarbonate to pH 4 - 5 and extracted with ethyl acetated (3 x 3000 mL). The combined organic layer were washed with brine, dried over sodium sulfate and concentrated to dryness in vacuo affording crude l-(5-bromo-lH-pyrrolo[2,3-b]pyridin-3-yl)ethanone as a yellow solid (330 g, 93 % after 10 batch repeat) used for the next step without any further purification: lH NMR (DMSO, 400 MHz): delta 12.675 (s, 1H), 8.537-8.543 (d, = 2.4 Hz, 1H), 8.506 (s, 1H), 8.371- 8.377 (d, J = 2.4 Hz, 1H), 2.445 (s, 3H).

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2010,vol. 20,p. 7212 - 7215
[2]Patent: US2006/30583,2006,A1 .Location in patent: Page/Page column 61-62
[3]Patent: WO2008/124849,2008,A2 .Location in patent: Page/Page column 77-78
[4]Patent: US2008/261921,2008,A1 .Location in patent: Page/Page column 141-142
[5]Patent: US2011/82138,2011,A1 .Location in patent: Page/Page column 65
[6]Patent: WO2014/111496,2014,A1 .Location in patent: Page/Page column 100; 101
[7]Patent: WO2016/142310,2016,A1 .Location in patent: Page/Page column 65-66

3
[ 866545-96-2 ]
[ 5815-08-7 ]
1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-dimethylamino-propenone [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
70%	at 100℃; for 6.5h;	Step 2: Synthesis of 1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-dimethylamino-propenone. To <strong>[866545-96-2]1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-ethanone</strong> (2.25 g, 9.41 mmol) was added tert-butoxybis(dimethylamino)methane (5.83 mL, 28.23 mmol) (neat) and refluxed in an oil bath at 100 C. for 6.5 hours. The reaction was cooled and titrated with diethyl ether. The solid was filtered and dried under vacuum to afford the title compound as an orange powder (1.93 g, 70% yield). 1H NMR (500 MHz, d6-DMSO) delta 8.67 (d, J=2.5 Hz, 1H), 8.37 (s, 1H), 8.31 (d, J=2.0 Hz, 1H), 7.57 (d, J=12.5 Hz, 1H), 5.78 (d, J=12.0 Hz, 1H), 2.49 (s, 6H).
70%	at 100℃; for 6.5h;Heating / reflux;	To l-(5-bromo-1H -pyrrolo[2,3-b]pyridin-3-yl)-ethanone (2.25 g, 9.41 mmol) was added tert- butoxybis(dimethylamino)methane (5.83 mL, 28.23 mmol) (neat) and refluxed in an oil bath at 100 C for6.5 hours. The reaction was cooled and titrated with diethyl ether. The solid was filtered and dried under vacuum to afford the title compound as an orange powder (1.93 g, 70% yield). 1H NMR (500 MHz, dg-DMSO) delta 8.67 (d, J= 2.5 Hz, 1H), 8.37 (s, 1H), 8.31 (d, J = 2.0 Hz, 1H), 7.57 (d, J = 12.5 Hz, 1H), 5.78(d, J = 12.0 Hz, 1H), 2.49 (s, 6H).

Reference： [1]Patent: US2006/30583,2006,A1 .Location in patent: Page/Page column 61-62
[2]Patent: WO2008/124849,2008,A2 .Location in patent: Page/Page column 77; 78

4
[ 866545-96-2 ]
[ 76513-69-4 ]
[ 73183-34-3 ]
[ 1071454-96-0 ]

Yield	Reaction Conditions	Operation in experiment
92%		To a 250 ml 3-neck flask, <strong>[866545-96-2]1-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-yl)-ethanone</strong> (2.2 g, 9.3 mmol) and DMF (50 ml) were added. The solution was cool to -40 C. under nitrogen, and sodium hydride (0.3 g, 11.2 mmol) was added in 2 batches. The mixture was stirred at -40 C. for 1 hour. A solution of SEM-Cl (2 ml, 11.2 mmol) in DMF (10 ml) was added dropwise and the resulting mixture was allowed to stir at -40 C. for another 2 hours. The reaction was quenched with saturated NH4Cl (40 ml) and worked up with ethyl acetate, brine, dried with Na2SO4 and concentrated to dryness. The crude intermediate, bis(pinacolato)diboron (4.8 g, 18.6 mmol), dichloro[1,1'-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane adduct (341 mg, 0.5 mmol), and sodium acetate (2.3 g, 28 mmol) in DMF (20 ml) were stirred at 100 C. overnight. The mixture was allowed to cool to room temperature and was then extracted with ethyl acetate (3×). The combined organic layers were extracted with brine, dried with Na2SO4, decanted, and concentrated to dryness. Silica gel chromatography of the crude using a gradient of ethyl acetate and hexane afforded 1-[5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl-1-2(2-trimethylsilanyl-ethoxymethyl)-1H-pyrrolo[2,3-b]pyridine-3-yl)-ethanone (3.6 g, 92% yield). 1H NMR (500 MHz, DMSO-d6) delta 0.03 (s, 9H), 0.92 (m, 2H), 1.28 (s, 3H), 1.43 (s, 12H), 3.67 (m, 2H), 5.78 (s, 2H), 8.68, (m, 1H), 8.82 (s, 1H), 8.89 (m, 1H). MS: m/z 417.2 (M+H+).

Reference： [1]Patent: US2008/261921,2008,A1 .Location in patent: Page/Page column 141-142

5
[ 866545-96-2 ]
[ 1073354-99-0 ]
C₁₄H₁₂N₄O [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2010,vol. 20,p. 7212 - 7215

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P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

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[ CAS No. 866545-96-2 ] {[proInfo.proName]}

Quality Control of [ 866545-96-2 ]

Related Doc. of [ 866545-96-2 ]

Product Details of [ 866545-96-2 ]

Safety of [ 866545-96-2 ]

Application In Synthesis of [ 866545-96-2 ]

[ 866545-96-2 ] Synthesis Path-Upstream 1~2

[ 866545-96-2 ] Synthesis Path-Downstream 1~5

Related Functional Groups of [ 866545-96-2 ]

Bromides

Ketones

Related Parent Nucleus of [ 866545-96-2 ]

Other Aromatic Heterocycles

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 866545-96-2 ]

Related Parent Nucleus of
[ 866545-96-2 ]