Conditions | Yield |
---|---|
With bis(tri-n-butyltin)oxide In benzene at 80℃; for 10h; other esters, other solvents, other temperatures and reaction times; | 100% |
With bis(tri-n-butyltin)oxide In benzene at 80℃; for 10h; | 100% |
With 2,2'-azobis(isobutyronitrile); bis(tri-n-butyltin)oxide In benzene at 80℃; for 1.5h; | 100 % Spectr. |
Conditions | Yield |
---|---|
Stage #1: dichloromethane With 2,2,6,6-tetramethylpiperidinylmagnesium chloride lithium chloride complex In tetrahydrofuran; toluene at -78℃; for 0.5h; Inert atmosphere; Stage #2: carbon dioxide In tetrahydrofuran; toluene at -78℃; for 3h; | 100% |
acetic anhydride
acetic acid
A
dichloro-acetic acid
B
chloroacetic acid
Conditions | Yield |
---|---|
With iron(III) chloride; chlorine at 95℃; Reagent/catalyst; Concentration; Time; Microwave irradiation; | A 1.86% B 98.11% |
1,1,2-trichloroethane
A
dichloro-acetic acid
B
2,2-dichloroacetaldehyde
C
chloroacetic acid
Conditions | Yield |
---|---|
With dihydrogen peroxide; iron(III) perchlorate In water at 25℃; pH=2.8; Product distribution; Further Variations:; Reagents; Oxidation; UV-irradiation; | A 5.2% B 4.4% C 16% |
Conditions | Yield |
---|---|
With dihydrogen peroxide; iron(III) perchlorate In water at 25℃; pH=2.80; Product distribution; Further Variations:; Reagents; Oxidation; UV-irradiation; | 2.7% |
With air; titanium(IV) oxide In water at 22℃; Kinetics; Further Variations:; Solvents; Reagents; Oxidation; Photolysis; |
Conditions | Yield |
---|---|
With dihydrogen peroxide In water at 25℃; pH=2.8; Product distribution; Further Variations:; Reagents; Oxidation; UV-irradiation; | A 0.18% B 0.11% |
Conditions | Yield |
---|---|
With sodium hypochlorite |
Conditions | Yield |
---|---|
With water Hydrolysis; | |
With acetic acid unter Abdestillieren des entstehenden Acetylchlorids, zuletzt unter Einleiten von HCl; | |
With water In acetone at -50 - -20℃; Kinetics; |
Conditions | Yield |
---|---|
With chlorine |
Conditions | Yield |
---|---|
at 120℃; Bildung von Dichloressigester; |
Conditions | Yield |
---|---|
With potassium cyanide | |
With water; potassium ferrocyanide |
Conditions | Yield |
---|---|
beim Chlorieren entsteht Dichloressigester; |
Conditions | Yield |
---|---|
With sulfuric acid at 168℃; | |
With sulfuric acid at 168℃; |
Conditions | Yield |
---|---|
With nitric acid |
1,1-dichloro-2-nitroethane
dichloro-acetic acid
Conditions | Yield |
---|---|
With sulfuric acid at 100℃; |
Conditions | Yield |
---|---|
Hydrolysis; |
2-acetoxy-3,3-dichloro-acrylonitrile
dichloro-acetic acid
Conditions | Yield |
---|---|
With water |
tetrachloro-cyclopent-4-ene-1,3-dione
A
dichloro-acetic acid
B
2,3-dichloro-acrylic acid
Conditions | Yield |
---|---|
With sodium hydroxide; ethanol |
Conditions | Yield |
---|---|
With calcium hypochlorite; water |
Conditions | Yield |
---|---|
With iodine beim Chlorieren; |
Conditions | Yield |
---|---|
Bildung von Dichloressigsaeureaethylester; |
Conditions | Yield |
---|---|
With water | |
With diethyl ether; water; calcium carbonate at 80 - 85℃; dann schliesslich auf 98-100grad, fuegt man konz.Salzsaeure hinzu und aethert aus; |
Conditions | Yield |
---|---|
With sodium cyanide |
Conditions | Yield |
---|---|
With potassium cyanide; water |
Conditions | Yield |
---|---|
With chlorine |
Conditions | Yield |
---|---|
With hypochloric acid at 75 - 80℃; |
Conditions | Yield |
---|---|
With perchloric acid; vanadium (2+) In water; tert-butyl alcohol at 30℃; Kinetics; Thermodynamic data; other solvents, other temperatures, dependence on pH and on mol fraction of alcohol; ΔH(excit.) and ΔS(excit.); | |
With copper | |
With copper; benzene |
Conditions | Yield |
---|---|
With oxygen; titanium(IV) oxide In water Mechanism; Rate constant; Ambient temperature; Irradiation; dependence on O2 concentration, pH; |
Trichloroethylene
A
dichloro-acetic acid
B
dichloroacethyl chloride
C
1,1,3,3,4,4,-hexachloro-1-butene
Conditions | Yield |
---|---|
In neat (no solvent) at 130℃; Product distribution; effect of the time and the temp.; |
Conditions | Yield |
---|---|
With sodium hydride In tetrahydrofuran at 25℃; | 100% |
With sodium hydride In tetrahydrofuran |
dichloro-acetic acid
Conditions | Yield |
---|---|
With [bis(acetoxy)iodo]benzene | 100% |
With oxygen In 1,2-dichloro-benzene at 20℃; for 15h; Kinetics; |
dichloro-acetic acid
imatinib
4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridyl)-2-pyrimidinyl]amino]phenyl]benzamide dichloroacetate
Conditions | Yield |
---|---|
In isopropyl alcohol at 20 - 25℃; for 3h; Product distribution / selectivity; | 100% |
In isopropyl alcohol at 20 - 25℃; for 3h; Product distribution / selectivity; | 100% |
Conditions | Yield |
---|---|
In tetrahydrofuran at 20℃; for 3h; | 100% |
Conditions | Yield |
---|---|
In tetrahydrofuran at 20℃; for 3h; | 100% |
Conditions | Yield |
---|---|
In toluene byproducts: 2-propanol; a soln. of the acid in toluene added dropwise with stirring to a soln. of Ti(OiPr)4 in toluene (1:1 stoichiometric ratio) over 1/2 h at room temp., react. mixt. stirred for 6 h to give a light red soln.; volatiles removed in vacuo, solid residue given, elem. anal.; | A 99.9% B 99.3% |
dichloro-acetic acid
Conditions | Yield |
---|---|
In toluene (Ar); Schlenk techniques; toluene soln. of CHCl2COOH added dropwise to toluene soln. of Ti(OBu)4 over 30 min at 25.degrgee.C; stirred for 8 h; vac. evapn.; elem. anal.; | 99.8% |
Conditions | Yield |
---|---|
In toluene soln. Cl2HCCOOH in toluene was added dropwise to soln. Zr complex in toluene over 30 min at room temp. and stirred for 6 h; elem. anal.; | 99.5% |
dichloro-acetic acid
Zr(isopropoxide)4(HOiPr)
Zr2(μ-O(i)Pr)2(μ-OOCCHCl2)(O(i)Pr)4(OOCCHCl2)(HO(i)Pr)
Conditions | Yield |
---|---|
In toluene soln. Cl2HCCOOH in toluene was added dropwise to soln. Zr complex in toluene over 30 min at room temp. and stirred for 6 h; elem. anal.; | 99.3% |
In toluene soln. Cl2HCCOOH in toluene was added dropwise to soln. Zr complex in toluene over 30 min at room temp. and stirred for 6 h; solvent was removed in vacuo, residue was dissolved in toluene and crystd. at -20°C; elem. anal.; | 69% |
Conditions | Yield |
---|---|
With covalent organic polymer from p-aminophenol and cyanuric chloride In 1,4-dioxane at 20℃; for 0.5h; | 99% |
Stage #1: dichloro-acetic acid; aniline With dmap In dichloromethane at 20℃; for 0.5h; Stage #2: With dicyclohexyl-carbodiimide In dichloromethane for 2h; | 95% |
With Tri-n-octylamine; benzenesulfenyl chloride In dichloromethane at 20℃; pH=6.5 - 7.0; | 42% |
Conditions | Yield |
---|---|
With methoxybenzene In dichloromethane for 1h; Ambient temperature; | 99% |
Conditions | Yield |
---|---|
With zirconium(IV) chloride In tetrahydrofuran at 70℃; for 24h; Molecular sieve; Inert atmosphere; | 99% |
With bis(cyclopentadienyl)titanium dichloride In tetrahydrofuran at 70℃; for 8h; Molecular sieve; Sealed tube; Inert atmosphere; | 99% |
With bis(cyclopentadienyl)hafnium dichloride In diethyl ether at 26℃; for 1.5h; Molecular sieve; | 92% |
Stage #1: dichloro-acetic acid With titanium(IV) isopropylate In tetrahydrofuran at 40 - 70℃; Molecular sieve; Inert atmosphere; Stage #2: benzylamine In tetrahydrofuran at 70℃; Molecular sieve; Inert atmosphere; | 75% |
Conditions | Yield |
---|---|
In toluene at 25℃; for 10h; Schlenk technique; | 99% |
Conditions | Yield |
---|---|
In methanol at 20℃; for 24h; | 99% |
at 20℃; for 12h; Cooling with ice; | 98% |
Conditions | Yield |
---|---|
In methanol at 20℃; for 1h; | 99% |
dichloro-acetic acid
Conditions | Yield |
---|---|
In toluene (Ar); Schlenk techniques; toluene soln. of CHCl2COOH added dropwise to toluene soln. of Ti(OBu)4 over 30 min at 25.degrgee.C; stirred for 8 h; vac. evapn.; elem. anal.; | 98.9% |
Conditions | Yield |
---|---|
In toluene at 25℃; for 10h; Schlenk technique; | 98% |
dichloro-acetic acid
carbonato(1,2-diaminocyclohexane)platinum
Conditions | Yield |
---|---|
In water for 1h; | 98% |
Conditions | Yield |
---|---|
In methanol at 20℃; for 24h; | 98% |
Conditions | Yield |
---|---|
In methanol at 20℃; for 24h; | 98% |
Conditions | Yield |
---|---|
With dicyclohexyl-carbodiimide In dichloromethane for 12h; Ambient temperature; | 97% |
Conditions | Yield |
---|---|
In H2O Cl2CHCOOH was added to suspn. ZnO in H2O, mixt. was stirred until ZnO dissolved completely; mixt. was filtered, mother liquor was evapd. in vac., dried for 8 h at 2Torr and, 50°C; elem. anal.; | 97% |
Conditions | Yield |
---|---|
In methanol at 20℃; for 24h; | 97% |
Conditions | Yield |
---|---|
In methanol at 20℃; for 24h; | 97% |
dichloro-acetic acid
fasudil
Conditions | Yield |
---|---|
In water at 20℃; for 0.166667h; | 96.9% |
In water at 20℃; for 0.166667h; | 96.9% |
In water at 20℃; for 0.166667h; |
Conditions | Yield |
---|---|
With sulfuric acid at 100℃; for 26h; | 96% |
With sulfuric acid In dichloromethane at 120℃; Inert atmosphere; | 86% |
With boron trifluoride | |
With sulfuric acid |
Conditions | Yield |
---|---|
tetraphosphorus decasulfide; triphenyl antimony oxide In chloroform at 60℃; for 8h; | 96% |
Molecular Structure of Dichloroacetic acid (CAS NO.79-43-6):
IUPAC Name: Dichloroacetic acid
Empirical Formula: C2H2Cl2O2
Molecular Weight: 128.9421
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 37.3Å2
Index of Refraction: 1.48
Molar Refractivity: 22.536 cm3
Molar Volume: 79.321 cm3
Surface Tension: 47.089 dyne/cm
Density: 1.626 g/cm3
Flash Point: 75.552 °C
Enthalpy of Vaporization: 47.42 kJ/mol
Boiling Point: 193.999 °C at 760 mmHg
Vapour Pressure: 0.196 mmHg at 25°C
Melting point: 9-11 °C(lit.)
Storage temp: 0-6°C
Water Solubility: soluble
Sensitive: Hygroscopic
Merck: 14,3050
BRN: 1098596
Stability: Stable. Incompatible with strong oxidizing agents, strong bases, strong reducing agents. Reacts with water. Protect from moisture. Hygroscopic
Product Categories: Pharmaceutical Intermediates; Alpha Sort; D; DAlphabetic; DIA - DIC;Volatiles/ Semivolatiles; Chemical Synthesis; Organic Acids; Synthetic Reagents; 500 Series Drinking Water Methods; EPA; Method552; Pesticides&Metabolites; Essential Chemicals; Reagent Plus; Routine Reagents
1. | skn-rbt 10 mg/24H open MOD | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119. | ||
2. | skn-rbt 2 mg/24H SEV | 85JCAE Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,570. | ||
3. | eye-rbt 50 µg open SEV | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119. | ||
4. | orl-mus TDLo:427 g/kg/61W-C:CAR | TXAPA9 Toxicology and Applied Pharmacology. 90 (1987),183. | ||
5. | orl-rat LD50:2820 mg/kg | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119. | ||
6. | skn-rbt LD50:510 mg/kg | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119. |
Reported in EPA TSCA Inventory.
Moderately toxic by skin contact and ingestion. It is corrosive to the skin, eyes, and mucous membranes. Questionable carcinogen with experimental tumorigenic data. Will react with water or steam to produce toxic and corrosive fumes. When heated to decomposition it emits toxic fumes of Cl−. See also CHLORIDES.
Safety information of Dichloroacetic acid (CAS NO.79-43-6):
Hazard Codes: Xi,N,C,F
Risk Statements:40-50-35-36/37/38
R40:Limited evidence of a carcinogenic effect
R50:Very Toxic to aquatic organisms
R35:Causes severe burns
R36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements: 26-45-61-36/37-16
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
S61:Avoid release to the environment. Refer to special instructions safety data sheet
S36/37:Wear suitable protective clothing and gloves
S16:Keep away from sources of ignition - No smoking
RIDADR: UN 1764 8/PG 2
WGK Germany: 2
RTECS: AG6125000
F: 3-10
HazardClass: 8
PackingGroup: II
DOT Classification: 8; Label: Corrosive
Dichloroacetic acid , with CAS number of 79-43-6, can be called Dichloroacetic aciol ; Dichloroethanoic acid ; Dichloroacetic acid ; Dichlorethanoic acid ; Dichloracetic acid ; Aceticacid, dichloro- (5CI,8CI,9CI) . It is stable but incompatible with strong oxidizing agents, strong bases, strong reducing agents. Dichloroacetic acid (CAS NO.79-43-6) is used as a pesticide, pharmaceutical intermediates, organic synthesis.
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