[ CAS No. 391-78-6 ] {[proInfo.proName]}

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2D 3D

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Quality Control of [ 391-78-6 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 391-78-6 ]

SDS Specification

Alternatived Products of [ 391-78-6 ]

Product Details of [ 391-78-6 ]

CAS No. :	391-78-6	MDL No. :	MFCD00269610
Formula :	C₉H₆FNO	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	BYZXOYSEYWCLOK-UHFFFAOYSA-N
M.W :	163.15	Pubchem ID :	2774498
Synonyms :

Calculated chemistry of [ 391-78-6 ] Expand+

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	10
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	43.72
TPSA :	33.12 ?2

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.81 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.47
Log Po/w (XLOGP3) :	0.68
Log Po/w (WLOGP) :	2.5
Log Po/w (MLOGP) :	1.61
Log Po/w (SILICOS-IT) :	2.38
Consensus Log Po/w :	1.73

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.9
Solubility :	2.07 mg/ml ; 0.0127 mol/l
Class :	Very soluble
Log S (Ali) :	-0.95
Solubility :	18.2 mg/ml ; 0.112 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-3.4
Solubility :	0.0657 mg/ml ; 0.000403 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.38

Safety of [ 391-78-6 ]

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H335	Packing Group:
GHS Pictogram:

Application In Synthesis of [ 391-78-6 ]

* 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 [ 391-78-6 ]
Downstream synthetic route of [ 391-78-6 ]

[ 391-78-6 ] Synthesis Path-Upstream 1~1

1
[ 391-78-6 ]
[ 661463-17-8 ]

Yield	Reaction Conditions	Operation in experiment
79%	With phosphorus tribromide In N,N-dimethyl-formamide at 45 - 60℃; for 0.75 h;	To a solution of intermediate A.i (20 g, 122.58 mmol) in DMF (130 niL), heated to 60⁰C, was added phosphorous tribromide (13 mL, 1.15 eq.). The reaction was heated at 45°C for 45 min. After cooling to rt, the reaction was diluted with water (200 mL). Sat. Na₂CO₃ was added until pH 10 was reached. The solid was formed was filtered off. The solid was taken up in EA (200 mL) and the solution was concentrated to dryness. The residue was chromatographed (EA) to afford the title bromide as a yellowish solid (22 g, 79percent yield). ¹H NMR (CDCl₃) δ: 8.70 (d, J = 4.7 Hz, IH); 8.14 (m, IH); 7.96 (d, J = 4.7 Hz, IH); 7.81-7.73 (m, 2H).

Reference： [1] Patent: WO2008/152603, 2008, A1, . Location in patent: Page/Page column 36
[2] Patent: WO2017/21319, 2017, A1, . Location in patent: Page/Page column 32

[ 391-78-6 ] Synthesis Path-Downstream 1~13

1
[ 391-78-6 ]
[ 391-77-5 ]

Yield	Reaction Conditions	Operation in experiment
	With trichlorophosphate; In dichloromethane;	(b) 4-Chloro-6-fluoroquinoline A mixture of 52 g (0.319 mol) of <strong>[391-78-6]6-fluoro-4-hydroxyquinoline</strong> and 100 ml of phosphorus oxychloride was stirred and heated under reflux for 3 hr. The reaction mixture was concentrated in vacuo. A slurry of the residue in methylene chloride was poured into ice-water, and the mixture neutralized with 3N sodium hydroxide. The organic phase was separated, and the aqueous phase was extracted with 250 ml of methylene chloride twice. The organic phases were combined, washed with water, dired over sodium sulfate, and concentrated in vacuo. The residue was crystallized from hexane to give 27.95 g of product, mp 71°-74°.

Reference： [1]Journal of the American Chemical Society,1947,vol. 69,p. 371,373
[2]Patent: US4560692,1985,A

2
[ 391-78-6 ]
[ 147006-10-8 ]

Reference： [1]Heterocycles,1994,vol. 39,p. 693 - 722

3
[ 391-78-6 ]
[ 391-36-6 ]

Reference： [1]Journal of the American Chemical Society,1947,vol. 69,p. 371,373

4
[ 318-35-4 ]
[ 391-78-6 ]

Reference： [1]Journal of the American Chemical Society,1947,vol. 69,p. 371,373

5
[ 26832-96-2 ]
[ 391-78-6 ]

Reference： [1]Journal of the American Chemical Society,1947,vol. 69,p. 371,373

6
[ 391-78-6 ]
[ 74-88-4 ]
[ 108494-56-0 ]

Yield	Reaction Conditions	Operation in experiment
	With ammonia; potassium carbonate; In tetrahydrofuran; water;	(a) Iodomethane (6.9 ml) was added to a stirred suspension of <strong>[391-78-6]6-fluoro-4-hydroxyquinoline</strong> (16.3 g) and anhydrous potassium carbonate (15.2 g) in dry tetrahydrofuran (100 ml) at ambient temperature and stirring was continued for 18 hours. More iodomethane (1.8 ml) and anhydrous potassium carbonate (3.8 g) were added and stirring was continued for 4 hours at ambient temperature. Concentrated aqueous ammonia (specific gravity 0.88; 100 ml) was added and the mixture was evaporated to dryness. The residue was treated with water (200 ml) and extracted with dichloromethane (2*400 ml). The extract was dried and evaporated to dryness. The residue was crystallized from ethyl acetate to give the novel compound 6-fluoro-1-methyl-4-quinolone, m.p. 88-89.

Reference： [1]Journal of the American Chemical Society,2017,vol. 139,p. 8267 - 8276
[2]Patent: US4772614,1988,A

7
[ 391-78-6 ]
6-fluoro-4-hydroxy-3-hydroxymethylquinoline [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With formaldehyd; In sodium hydroxide;	(b) The starting material for the above preparation was prepared in a similar manner to that described in Example 3. <strong>[391-78-6]6-Fluoro-4-hydroxyquinoline</strong> was reacted with 40percent aqueous formaldehyde in aqueous sodium hydroxide solution to give the novel 6-fluoro-4-hydroxy-3-hydroxymethylquinoline m.p. 310°-315°.

Reference： [1]Patent: US4442109,1984,A

8
[ 87-13-8 ]
[ 371-40-4 ]
[ 391-78-6 ]

Yield	Reaction Conditions	Operation in experiment
32%		To a suspension solution of 6-fluoroquinolin-4-ol (3.67 g, 22.5 mmol) (synthesized in overall yield of 32percent starting from 4-fluoroaniline and diethyl ethoxymethylenemalonate according to a literature procedure (see Price et al., Organic Syntheses, Coll. Vol. 3, p. 272; Vol. 28, p. 38), triphenylphosphine (6.56 g, 25 mmol), and 3-bromo-1-propanol (2.3 mL, 25 mmol) in dry tetrahydrofuran (30 mL) was added diisopropyl azodicarboxylate (4.9 mL, 25 mmol) at 25° C. over 30 minutes under nitrogen and the reaction mixture was left stirring for one hour. Hydrobromic acid (2.8 mL of 48percent aqueous solution, 25 mmol) was added, resulting in precipitation of the titled compound. The product was collected by suction filtration and washed with THF, acetone and ether to give a light yellow crystalline solid (4.17 g, 51percent). 1H NMR (400 MHz, DMSO-d6): 2.45 (2H, m), 3.82 (2H, t, J=6.5 Hz), 4.61 (2H, t, J=5.7 Hz), 7.64 (1H, d, J=6.6 Hz), 8.40 (1H, dt, J=8.5, 2.7 Hz), 7.90 (m, 1H), 8.27 (1H, dd, J=9.4, 4.8 Hz), 9.24 (1H, d, J=6.6 Hz).
	With hydrogenchloride; sodium hydroxide; In diphenylether; hexane; water;	(a) 6-Fluoro-4-hydroxyquinoline A mixture of 216 ml of diethyl ethoxymethylenemalonate, 95 ml of 4-fluoroaniline, and 800 ml of diphenyl ether was stirred and slowly heated to 185° with distillation of the ethanol formed. The reaction mixture was then heated to 245° for 1.5 hr. The total amount of ethanol collected was 105 ml. The reaction mixture was allowed to cool to 60° at which time 250 ml of hexane was added. After it had stood overnight, the product was collected, washed with hexane and dried to give 223 g of solid mp 305°-309°. A mixture of the above solid, 600 ml of 3N sodium hydroxide, and 250 ml of water was stirred and heated under reflux for 2 hr. To the hot brown cloudy mixture was slowly added 600 ml of 3N hydrochloric acid to precipitate the product, 6-fluoro-4-hydroxyquinoline-3-carboxylic acid. This product was filtered from the cooled reaction mixture. This damp solid and 600 ml of diphenyl ether was slowly heated to 250° while water was allowed to distill out. The reaction mixture was held at this temperature for 20 min. and then allowed to cool to 100°. Then 500 ml of hexane was added, and the mixture was stirred for 1 hr. The product 6-fluoro-4-hydroxyquinoline, was collected and washed with hexane to give 144 g, mp 209°-212°.

Reference： [1]Patent: US2009/99220,2009,A1 .Location in patent: Page/Page column 8-9
[2]Patent: US4560692,1985,A

Yield	Reaction Conditions	Operation in experiment
		EXAMPLE 2 - Step 2 and 3 A mixture of 94 g (0.4 mole) of ethyl 6-fluoro-4-hydroxyquinoline-3-carboxylate from example 1, 80 g (2.0 mole) of sodium hydroxide and 200 ml of water was heated to its reflux temperature and held at that temperature while stirring for 30 minutes. The hot solution was poured into a mixture of ice and hydrochloric acid. The acid solution was filtered, washed with water and suctioned dry. The solid obtained was dissolved in 200 ml of diphenyl ether, and the solution heated to its reflux temperature and maintained at reflux for less than 5 minutes. After cooling for several hours the solid precipitate was separated and washed with diethyl ether. The identity of the product, 6-fluoro-4-hydroxyquinoline, was confirmed by infrared and nuclear magnetic resonance spectral analyses.
		EXAMPLE 2 -- STEP 2 AND 3 A mixture of 94 g (0.4 mole) of ethyl 6-fluoro-4-hydroxyquinoline-3-carboxylate from example 1, 80 g (2.0 mole) of sodium hydroxide and 200 ml of water was heated to its reflux temperature and held at that temperature while stirring for 30 minutes. The hot solution was poured into a mixture of ice and hydrochloric acid. The acid solution was filtered, washed with water and suctioned dry. The solid obtained was dissolved in 200 ml of diphenyl ether, and the solution heated to its reflux temperature and maintained at reflux for less than 5 minutes. After cooling for several hours the solid precipitate was separated and washed with diethyl ether. The identity of the product, 6-fluoro-4-hydroxyquinoline, was confirmed by infrared and nuclear magnetic resonance spectral analyses.

10
[ 391-78-6 ]
4-fluoro-2-(1H-pyrazol-3-yl)aniline [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		15) 1.2. 4-Fluoro-2-(1H-pyrazol-3-yl)aniline, m.p. 91°-92° C., from <strong>[391-78-6]6-fluoro-4-quinolinol</strong>.

Reference： [1]Patent: US5387585,1995,A

11
[ 391-78-6 ]
[ 358-23-6 ]
[ 1072792-48-3 ]

Yield	Reaction Conditions	Operation in experiment
50%	With 2,6-dimethylpyridine;dmap; In dichloromethane; at 0℃;	17.i. Trifluoro-methanesulfonic acid 6-fluoro-quinolin-4-yl ester A mixture of <strong>[391-78-6]6-fluoro-quinolin-4-ol</strong> (2 g, 12.3 mmol), 2,6-lutidine (2.0 g. 18.4 mmol) and DMAP (0.15 g, 1.2 mmol) in DCM (50 mL) was cooled to 0° C. At this temperature, trifluoromethane sulfonic anhydride (3.9 g, 13.5 mmol) was added dropwise and the mixture stirred at 0° C. for 3 h. A sat. NH4Cl solution was added and the phases separated. The org. layer was washed with water, dried over MgSO4 and concentrated. Chromatography on SiO2 (DCM) gave the desired triflate (1.8 g, 50percent yield) as a brownish solid. 1H NMR (CDCl3) delta: 8.95 (d, J=5.0 Hz, 1H), 8.22 (dd, J=9.4, 5.3 Hz, 1H), 7.64 (m, 2H), 7.46 (d, J=5.0 Hz, 1H). MS (ESI, m/z): 296.0 [M+H+].
50%	With 2,6-dimethylpyridine; dmap; In dichloromethane; at 0℃; for 3h;	Example 17: (>7V-[(R>3-(2,3-dihydro-benzo[l,4]dioxin-6-yl)-2-oxo-oxazolidin- 5-ylmethyl]-3-(6-fluoro-quinolin-4-yl)-acrylamide:; 17.i. Trifluoro-methanesulfonic acid 6-fluoro-quinolin-4-yl ester:; A mixture of <strong>[391-78-6]6-fluoro-quinolin-4-ol</strong> (2 g, 12.3 mmol), 2,6-lutidine (2.0 g. 18.4 mmol) andDMAP (0.15 g, 1.2 mmol) in DCM (5O mL) was cooled to 00C. At this temperature, trifluoromethane sulfonic anhydride (3.9 g, 13.5 mmol) was added dropwise and the mixture stirred at 00C for 3 h. A sat. NH4Cl solution was added and the phases separated.The org. layer was washed with water, dried over MgSO4 and concentrated.Chromatography on SiO2 (DCM) gave the desired triflate (1.8 g, 50percent yield) as a brownish solid. 1H NMR (CDCl3) delta: 8.95 (d, J = 5.0 Hz, IH), 8.22 (dd, J = 9.4, 5.3 Hz, IH), 7.64 (m, 2H),7.46 (d, J = 5.0 Hz, IH).MS (ESI, m/z): 296.0 [M+H+].
47%	With triethylamine; In dichloromethane; at 0 - 20℃;Inert atmosphere;	To a solution of <strong>[391-78-6]6-fluoroquinolin-4-ol</strong> (10g, 61.3 mmol) in DCM (60 mL) and Et3N (12.5g, 122.6 mmol) was slowly dropwised Tf2O (21g, 73.56 mmol) at 0 under N2. The mixture was stirred overnight at r.t. The mixture was quenched by H2O (30 mL) and extracted with DCM (50 mL 3). The organic layer was dried over with Na2SO4, filtered and concentrated to give crude product which was further purified by column chromatography, eluting with EA: PE=1: 10 to give the product (8.56 g, 47percent). [M+H] +=296.

Reference： [1]Patent: US2010/137290,2010,A1 .Location in patent: Page/Page column 71
[2]Patent: WO2008/126024,2008,A2 .Location in patent: Page/Page column 146
[3]Patent: WO2018/54365,2018,A1 .Location in patent: Paragraph 0338; 0339; 0869; 0870

12
[ 2033-24-1 ]
[ 371-40-4 ]
[ 391-78-6 ]

Yield	Reaction Conditions	Operation in experiment
46%		To a solution of p-fluoroaniline (3.03 mL, 31.5 mmol, 1 equiv) in ethanol (30 mL) were added Meldrum's acid (5.54 g, 38.4 mmol, 1.2 equiv) and triethyl orthoformate (12.4 mL, 74.5 mmol, 2.4 equiv). The mixture was heated to reflux for 2.5 h. The reaction was cooled to 0 °C and the solid was filtered and washed with cold ethanol. The dried solid was added portiowise over 5 mins to boiling diphenyl ether (100 mL). Reflux was maintained for an additional 3 mins. The reaction was stirred at room temperature for 30 mins before petroleum ether (25 mL) was added and the solid was filtered and dried. The crude product was purified by column chromatography on silica gel (EtOAc/MeOH 95:5), to afford 6-fluoroquinolin-4-ol (2.36 g, 14.5 mmol, 46percent). The analyses were consistent with the data reported in the literature. Ref: WO2010/123995 (2010) TLC Rf 0.41 (EtOAc/MeOH 95:5) 1HNMR (400MHz, DMSO-de) delta (ppm) 11.90 (s, 1H, OH), 7.94 (d, J=7.6, 1H, NCH), 7.73 (m, 1H, NCCH), 7.53-7.67 (m, 2H, FCCH, FCCH), 6.04 (d, J=7.3, 1H, OHCCH) ppm CNMR (101 MHz, DMSO-de) delta (ppm) 159.9 (7), 157.7 (5), 140.0 (2), 137.2 (10), 127.3 (4), 121.1 (6), 120.8 (1), 109.5 (3), 108.3 (8) ppm IR (neat) v max 2768 (br), 1594 (m) cm"1 LCMS (ESI+) m/z 164.1 [M+H]+, 186.1 [M+Na]+ 11 RMS (ESI+) m/z calcd. 164.0506 m/z meas. 164.0509 [M+H] Mpt 227 - 228 °C
	With orthoformic acid triethyl ester; In ethanol; for 2.5h;Heating / reflux;	To a mixture of 4-fluoro-aniline (25.O g, 224.9 mmol) in EtOH (17O mL) were added successively Meldrum's acid (35.69 g, 247.6 mmol) and triethyl orthoformate (40.O mL, 240.4 mmol). The reaction mixture was then refluxed for 2 h 30 min. The reaction mixture was cooled to 00C and the solid was filtered and washed with cold EtOH. The solid was dried under HV to give 54.62 g of a yellow powder. To a boiling solution of diphenyl ether (230 g) was added the latter solid portion wise over 5 min. The reflux was maintained for further 3 min and the reaction mixture was allowed to stir at rt. After 30 min at rt, ether was added and the desired solid was filtered, thoroughly washed with ether and dried under HV to afford the title compound as a brown solid (11.11 g, 68.1 mmol). MS (ESI, mix): 164.1 [M+H+].

Reference： [1]Patent: WO2017/21319,2017,A1 .Location in patent: Page/Page column 31
[2]Patent: WO2008/152603,2008,A1 .Location in patent: Page/Page column 36

13
[ 391-78-6 ]
[ 627-18-9 ]
[ 1142407-71-3 ]

Yield	Reaction Conditions	Operation in experiment
51%		To a suspension solution of <strong>[391-78-6]6-fluoroquinolin-4-ol</strong> (3.67 g, 22.5 mmol) (synthesized in overall yield of 32percent starting from 4-fluoroaniline and diethyl ethoxymethylenemalonate according to a literature procedure (see Price et al., Organic Syntheses, Coll. Vol. 3, p. 272; Vol. 28, p. 38), triphenylphosphine (6.56 g, 25 mmol), and 3-bromo-1-propanol (2.3 mL, 25 mmol) in dry tetrahydrofuran (30 mL) was added diisopropyl azodicarboxylate (4.9 mL, 25 mmol) at 25° C. over 30 minutes under nitrogen and the reaction mixture was left stirring for one hour. Hydrobromic acid (2.8 mL of 48percent aqueous solution, 25 mmol) was added, resulting in precipitation of the titled compound. The product was collected by suction filtration and washed with THF, acetone and ether to give a light yellow crystalline solid (4.17 g, 51percent). 1H NMR (400 MHz, DMSO-d6): 2.45 (2H, m), 3.82 (2H, t, J=6.5 Hz), 4.61 (2H, t, J=5.7 Hz), 7.64 (1H, d, J=6.6 Hz), 8.40 (1H, dt, J=8.5, 2.7 Hz), 7.90 (m, 1H), 8.27 (1H, dd, J=9.4, 4.8 Hz), 9.24 (1H, d, J=6.6 Hz).

Reference： [1]Patent: US2009/99220,2009,A1 .Location in patent: Page/Page column 8-9

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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. 391-78-6 ] {[proInfo.proName]}

Quality Control of [ 391-78-6 ]

Related Doc. of [ 391-78-6 ]

Product Details of [ 391-78-6 ]

Calculated chemistry of [ 391-78-6 ] Expand+

Physicochemical Properties

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Lipophilicity

Druglikeness

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Medicinal Chemistry

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Application In Synthesis of [ 391-78-6 ]

[ 391-78-6 ] Synthesis Path-Upstream 1~1

[ 391-78-6 ] Synthesis Path-Downstream 1~13

Technical Information

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Fluorinated Building Blocks

Alcohols

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Quinolines

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[ 391-78-6 ]

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[ 391-78-6 ]