[ CAS No. 68-04-2 ] {[proInfo.proName]}

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2D 3D

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Quality Control of [ 68-04-2 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 68-04-2 ]

SDS Specification

Alternatived Products of [ 68-04-2 ]

Product Details of [ 68-04-2 ]

CAS No. :	68-04-2	MDL No. :
Formula :	C₆H₅Na₃O₇	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	HRXKRNGNAMMEHJ-UHFFFAOYSA-K
M.W :	258.07	Pubchem ID :	6224
Synonyms :		Chemical Name :	Sodium 2-hydroxypropane-1,2,3-tricarboxylate

Calculated chemistry of [ 68-04-2 ] Expand+

Physicochemical Properties

Num. heavy atoms :	16
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.5
Num. rotatable bonds :	5
Num. H-bond acceptors :	7.0
Num. H-bond donors :	1.0
Molar Refractivity :	31.64
TPSA :	140.62 ?2

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-9.1 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-37.3
Log Po/w (XLOGP3) :	-1.72
Log Po/w (WLOGP) :	-5.25
Log Po/w (MLOGP) :	-1.48
Log Po/w (SILICOS-IT) :	-1.6
Consensus Log Po/w :	-9.47

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.03
Solubility :	243.0 mg/ml ; 0.941 mol/l
Class :	Very soluble
Log S (Ali) :	-0.72
Solubility :	49.2 mg/ml ; 0.191 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	1.71
Solubility :	13300.0 mg/ml ; 51.5 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	2.23

Safety of [ 68-04-2 ]

Signal Word:	Warning	Class:
Precautionary Statements:	P280-P305+P351+P338	UN#:
Hazard Statements:	H317-H319	Packing Group:
GHS Pictogram:

Application In Synthesis of [ 68-04-2 ]

* 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 [ 68-04-2 ]
Downstream synthetic route of [ 68-04-2 ]

[ 68-04-2 ] Synthesis Path-Upstream 1~1

1
[ 109-69-3 ]
[ 68-04-2 ]
[ 77-94-1 ]

Reference： [1] Patent: CN105237396, 2016, A, . Location in patent: Paragraph 0017

[ 68-04-2 ] Synthesis Path-Downstream 1~10

1
[ 68-04-2 ]
[ 77402-64-3 ]

Reference： [1]Journal of Chemical and Engineering Data,1991,vol. 36,p. 52 - 54

2
[ 68-04-2 ]
[ 105-39-5 ]
triethoxycarbonylmethyl citrate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
91.5%	With triethylamine; In toluene; at 110℃; under 397.54 Torr; for 17h;Heating / reflux;	A 1 L four-necked flask equipped with a stirrer, thermometer, water separator and reflux tube was charged with 294.1 g (1.0 mole) of tri<strong>[68-04-2]sodium citrate</strong> dihydrate, 404.3 g (3.3 moles) of ethyl monochloroacetate, 0.3 g of triethylamine and 77.5 g of toluene, and the mixture was heated to 110C over a period of 30 minutes while being stirred under a reduced pressure of about 53 kPa. Toluene started to reflux at the same temperature (110C), and after the refluxing reached a stable state, 11.8 g of triethylamine was added over a period of 10 hours. Sixteen hours after the start of the reaction, 36.0 g (2.0 moles) of crystal water of tri<strong>[68-04-2]sodium citrate</strong> dihydrate had been recovered. Since no more water generation was observed, the reaction mixture was stirred at the same temperature and pressure for 1 hour, and the reaction was judged to be complete. After the reaction was complete, the reaction mixture was cooled to 40C, 560.0 g of a 1% aqueous hydrochloric acid solution was added, and the sodium chloride and quaternary ammonium salt of triethylamine generated as by-products were removed. Subsequently, the organic layer was neutralized by adding sodium carbonate in an amount corresponding to twice the acid value of the organic layer (14.2 g) and 185.0g of water. Subsequently, the organic layer was washed with 185.0 g of water and then heated to 120C. Toluene was recovered until the pressure reached about 5 kPa, and steam distillation was performed at the same pressure for 1 hour to remove low-boiling components from the reaction product. Thus, 412.4 g of a reddish yellow transparent liquid was obtained. The yield was 91.5% and the acid value of the product was 0.126 (mg KOH/g).

Reference： [1]Patent: EP1491523,2004,A1 .Location in patent: Page 15-16

3
[ 395661-00-4 ]
[ 68-04-2 ]
sodium (6R, 7R)-7-phenylacetamido-3-[(S)-tetrahydrofuran-2-yl]ceph-3-em-4-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	aluminium chloride; In dichloromethane; methoxybenzene;	EXAMPLE 7 Sodium (6R,7R)-7-phenylacetamido-3-[(S)-tetrahydrofuran-2-yl]ceph-3-em-4-carboxylate A solution of the cephem ester from Example 6 (45 mg) in dry dichloromethane (1 ml) was added to a stirred solution of aluminium chloride (27 mg) in a mixture of anisole (1.5 ml) and dry dichloromethane (0.5 ml) at -40 C. After 15 minutes at (40 C. the cooling bath was removed and the mixture was treated with tri<strong>[68-04-2]sodium citrate</strong> (3.5 ml of a 0.5M aqueous solution). After stirring for a further 15 minutes the mixture was diluted with water (10 ml) and dichloromethane (5 ml). The aqueous layer was separated and the organic layer was re-extracted with water (5 ml). The combined aqueous layers were washed with dichloromethane, evaporated to low volume, and chromatographed on HP20 SS eluding with THF/water mixtures. The appropriate fractions were combined, concentrated, and freeze dried to give the title compound as an amorphous solid (26 mg), d ppm (D2O) 1.66-2.01 (3H, m), 2.12-2.22 (1H, m), 3.28 and 3.46 (2H, ABq, J 17.7 Hz), 3.61 and 3.69 (2H, ABq, J 14.8 Hz), 3.74-3.92 (2H, m), 4.67-4.73 (1H, m), 5.07 (1H, d, J 4.6 Hz), 5.57 (1H, d, J 4.6 Hz), 7.29-7.40 (5H, m).

Reference： [1]Patent: US2002/58806,2002,A1

4
[ 141061-25-8 ]
[ 68-04-2 ]
[ 141195-78-0 ]

Yield	Reaction Conditions	Operation in experiment
64%	aluminium chloride; In dichloromethane; water; methoxybenzene;	(b) Sodium (6R,7R)-7-[2-(2-aminothiazol-4-yl)-2-(Z)-methoxyiminoacetamido]-3-[(R) -tetrahydrofuran-2-yl]ceph-3-em-4-carboxylate Aluminium chloride (740 mg, 5.55 mmol) was added to anisole (32 ml) and dry dichloromethane (15 ml) at -20 C. and stirred for 15 min. The temperature of the cooling bath was then lowered to -40 C. before addition of a solution of 4-methoxybenzyl (6R,7R)-7-[2-(2-aminothiazol-4-yl)-2-(Z)-methoxyiminoacetamido) -3- [ (R) -tetrahydrofuran-2-yl) ceph-3-em-4-carboxylate (1.06 g, 1.85 mmol) in dichloromethane (10 ml). After 10 min., the solution was treated with tri<strong>[68-04-2]sodium citrate</strong> (0.5M, 54 ml) and then vigorously stirred for 10 min. at room temperature. The aqueous phase was separated, washed with dichloromethane (x2) and concentrated in vacuo. The residue was chromatographed on HP20SS eluding with water, then 1% THF in water. Fractions containing the product, (h.p.l.c. analysis), were combined and freeze-dried to give the title compound (560 mg, 64%); numax (KBr) 3399, 1762, 1669, 1603, 1529, 1038 cm-1; deltaH (d6 -DMSO, 250 MHz) 1.50-1.91 (4 H, m), 3.25 and 3.38 (2 H, ABq, J 16.8 Hz), 3.60-3.82 (2 H, m), 3.84 (3 H, s), 4.96 (1 H, d, J 4.7 Hz), 5.20 (1 H, dd, J 8.6, 6.0 Hz), 5.48 (1 H, dd, J 8.1, 4.7 Hz), 6.76 (1 H, s), 7.23 (2 H, br. s, exch.), 9.50 (1 H, d, J 8.1 Hz, exch.). [Mass spectrum: +ve ion (thioglycerol) MH+ (476), MNa+ (498)].

Reference： [1]Patent: US6001997,1999,A

5
zirconium hydroxy chloride [ No CAS ]
[ 68-04-2 ]
sodium zirconium citrate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	zirconium(IV) oxide;	(ii) The above <strong>[68-04-2]sodium citrate</strong> solution was added to 500 gm of zirconium hydroxychloride solution which contains 20.0% ZrO2. The reaction batch was mixed continuously while the <strong>[68-04-2]sodium citrate</strong> was being added. A clear solution of sodium zirconium citrate was obtained after the addition of <strong>[68-04-2]sodium citrate</strong> solution was completed.
	zirconium(IV) oxide;	(ii) The above <strong>[68-04-2]sodium citrate</strong> solution was added to 500 g of zirconium hydroxychloride solution which contains 20.0% ZrO2. The reaction batch was mixed continuously while the <strong>[68-04-2]sodium citrate</strong> was being added. A clear solution of sodium zirconium citrate was obtained after the addition of <strong>[68-04-2]sodium citrate</strong> solution was completed.

Reference： [1]Patent: US5182408,1993,A
[2]Patent: US5466846,1995,A

6
2,3-diamino-3-(ethylthio)acrylonitrile [ No CAS ]
[ 68-04-2 ]
[ 133940-72-4 ]

Yield	Reaction Conditions	Operation in experiment
48.7%	With citric acid; In 1,2-dimethoxyethane; water;	EXAMPLE 9 To a solution of 1.62 g of 2,3-diamino-3-(ethylthio)acrylonitrile in 26 ml of DME and 87 ml of water were added 113 ml of 0.1M citric acid and 9.5 ml of a 0.1M <strong>[68-04-2]sodium citrate</strong> aqueous solution to adjust the pH to be 3.2. The reaction mixture was stirred with bubbling air at 20 C. for 4 hours, followed by the same procedures in Example 3. 0.44 g of the 3,6-diamino-2,5-pyrazinedicarbonitrile as red crystals was obtained. (yield: 48.7%).

Reference： [1]Patent: US5294711,1994,A

7
4-Methoxybenzyl (6S,7S)-7-[2-(2-Aminothiazol-4-yl)-2-(Z)-methoxyiminoacetamido]-8-oxo-3-(tetrahydrofuran-2-yl)-1-aza-4-oxabicyclo[4.2.0]oct-2-ene-2-carboxylate [ No CAS ]
[ 68-04-2 ]
sodium (6S,7S)-7-[2-(2-Aminothiazol-4-yl)-2-(Z)-methoxyiminoacetamido]-8-oxo-3-(tetrahydrofuran-2-yl)-1-aza-4-oxabicyclo[4.2.0]oct-2-ene-2-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	aluminium chloride; In dichloromethane; water; methoxybenzene;	(f) Sodium (6S,7S)-7-[2-(2-Aminothiazol-4-yl)-2-(Z)-methoxyiminoacetamido]-8-oxo-3-(tetrahydrofuran-2-yl)-1-aza-4-oxabicyclo[4.2.0]oct-2-ene-2-carboxylate (I) A stirred mixture of anisole (2.38 ml) and dichloromethane (1.2 ml) under argon was cooled to -20 C. and treated with aluminium chloride (61 mg). The mixture was stirred at -20 C. for 15 min. an then a slurry of 4-methoxybenzyl (6S,7S)-7-[2-(2-aminothiazol-4-yl)-2-(Z)-methoxyiminoacetamido]-8-oxo-3-(tetrahydrofuran-2-yl)-1-aza-4-oxabicyclo[4.2.0]oct-2-ene-2-carboxylate (I) (88 mg) in dichloromethane (7.5 ml) was added. The mixture was stirred for 5 min. and then tri<strong>[68-04-2]sodium citrate</strong> (5.2 ml of 0.5M) was added and the mixture stirred for 10 min. The aqueous phase was separated and washed twice with dichloromethane, then evaporated. The product was purified by HP20SS chromatography of the residue (water with increasing proportions of acetone as eluent). Fractions containing product were combined and evaporated and the residue dissolved in water (4 ml) and freeze-dried to give the title compound (27 mg). numax (KBr) 1757, 1662 and 1617 cm-1; delta[(CD3)2 SO]1.68-1.95 (4H, m), 3.58-3.77 (4H, m), 3.84 (3H, s), 4.35 (1H, m), 5.51 (1H, dd, J 3.91 and 8.83 Hz), 5.68 (1H, t, J 6.84), 6.78 (1H, s), 7.25 (2H, s), 9.91 (1H, d, J 8.83 Hz).

Reference： [1]Patent: US5578591,1996,A

Yield	Reaction Conditions	Operation in experiment
		The following are for examples of substances suitable for adjusting the pH: sodium hydroxide, potassium hydroxide, tromethamine, trisodium citrate, sodium monohydrogen phosphate, potassium monohydrogen phosphate.
		Example 3 37.3 kg of citric acid are dissolved in 32.1 kg of demineralised water and the solution is reacted to give monosodium citrate by addition of 17.3 kg of 45% strength sodium hydroxide solution.
		EXAMPLE 3 A white dispersion of carboxymethyl ethyl cellulose was prepared in the same manner as in Example 1 except that 81.5 parts of an aqueous solution of sodium citrate obtained by adding 3 parts by volume of a 0.1 M aqueous solution of sodium hydroxide to 1 part by volume of a 0.1 M aqueous solution of citric acid was employed instead of the aqueous sodium lactate solution.

		EXAMPLE 2 1.110 kg of potassium phenoxymethylpenicillin is mixed with 0.050 kg of maize starch. A solution of 0.1 kg of sodium citrate is prepared in 0.1 liter of distilled water.
		In FIG. 2 are shown the U.V. spectra of the indicated compounds namely: trisodium citrate PAC PHC trisodium isocitrate
		Sodium citrate 0.27% sodium saccharin
		Solutions were not prepared with bicarbonate below pH 7 because bicarbonate will decompose at a lower pH. 1. Sodium Lactate Sodium Bicarbonate Sodium Citrate Sodium Pyruvate
		4. Preparation of Trisodium Citrate Solution: In a separate 400 mL glass beaker equipped with a magnetic stirbar, and using a stirrer/hot-plate, make a solution by mixing 150-mL's deionized water, 33.7 grams citric acid, and 42.0 grams 50% sodium hydroxide. Use a cooling water bath to cool the solution to 30-32 C.

9
4-Methoxybenzyl (6R,7R)-7-[2-(2-Aminothiazol-4-yl)-2-(Z)methoxyiminoacetamido]-3-(1,1-dioxotetrahydrothien-2yl)ceph-3-em-4-carboxylate [ No CAS ]
[ 68-04-2 ]
sodium (6R,7R)-7-[2-(2-aminothiazol-4-yl)-2-(Z)-methoxyiminoacetamido]-3-[1,1-dioxotetrahydrothien-2-yl]-ceph-3-em-4-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	aluminium chloride; In dichloromethane; methoxybenzene;	(i) Sodium (6R,7R)-7-[2-(2-Aminothiazol-4-yl)-2-(Z)methoxyiminoacetamido]-3-(1,1-dioxotetrahydrothien-2-yl)ceph-3-em-4-carboxylate Anisole (3 ml) and dichloromethane (3 ml), under argon were cooled to -20 C. and treated with aluminium chloride (0.118 g) for 15m. The solution was then further cooled to -40 C. and a solution of the cephalosporin (0.185 g) from example 3(h) in dichloromethane (3 ml) added. After 15m., 0.5M tri<strong>[68-04-2]sodium citrate</strong> (8 ml) was added. The reaction mixture was then worked up and purified as described in Example 3(f). The title compound was obtained as an amorphous white solid, (0.128 g, 82%); numax (KBr) 1766, 1671, 1617 and 1529cm-1; deltaH ((CD3)2 SO) 1.83-2.02 (1H, m), 2.06-2.20 (3H, m), 2.95-3.17 (2H, m), 3.46 (2H, s), 3.85 (3H, s), 5.03 (1H, d, J4.7 Hz), 5.38 (1H, t, J9.5 Hz), 5.54 (1H, dd, J4.7, 8.2 Hz collapses to d, J4.7 Hz with D2 O), 6.78 (1H, s), 7.25 (2H, br.s, exchangeable with D2 O) and 9.61 (1H, d, J8.2 Hz, exchangeable with D2 O); [mass spectrum: +ve ion (thioglycerol) MH+ (502), MNa+ (524)].

Reference： [1]Patent: US5602117,1997,A

10
[ 188497-71-4 ]
folic acid disodium salt [ No CAS ]
[ 68-04-2 ]
[ 59-30-3 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium hydroxide;	Preparation A An aqueous solution of folic acid, dihydrofolic acid and citric acid was prepared using sodium hydroxide solution. The pH value of the solution was 10.4. 100 g solution contained 16 mmol folic acid disodium salt, 1 mmol dihydrofolic acid, sodium salt, and 5 mmol tri<strong>[68-04-2]sodium citrate</strong>.

Reference： [1]Patent: US4931442,1990,A

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Technical Information

? Appel Reaction ? Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions ? Chugaev Reaction ? Corey-Kim Oxidation ? Dess-Martin Oxidation ? Heat of Combustion ? Hydride Reductions ? Jones Oxidation ? Martin's Sulfurane Dehydrating Reagent ? Mitsunobu Reaction ? Moffatt Oxidation ? Oxidation of Alcohols by DMSO ? Preparation of Alcohols ? Preparation of Amines ? Reactions of Alcohols ? Reactions with Organometallic Reagents ? Ritter Reaction ? Sharpless Olefin Synthesis ? Swern Oxidation

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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. 68-04-2 ] {[proInfo.proName]}

Quality Control of [ 68-04-2 ]

Related Doc. of [ 68-04-2 ]

Product Details of [ 68-04-2 ]

Calculated chemistry of [ 68-04-2 ] Expand+

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 68-04-2 ]

Application In Synthesis of [ 68-04-2 ]

[ 68-04-2 ] Synthesis Path-Upstream 1~1

[ 68-04-2 ] Synthesis Path-Downstream 1~10

Technical Information

Related Functional Groups of [ 68-04-2 ]

Aliphatic Chain Hydrocarbons

Alcohols

Carboxylic Acid Salts

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 68-04-2 ]