Methyldichloroacetate supplier

Name
Dichloroacetic acid methyl ester
EINECS 204-146-8
CAS No. 116-54-1
Article Data36
CAS DataBase
Density 1.365 g/cm³
Solubility Slightly soluble in water
Melting Point -52 °C
Formula C₃H₄Cl₂O₂
Boiling Point 142.8 °C at 760 mmHg
Molecular Weight 142.97
Flash Point 142.8 °C at 760 mmHg
Transport Information UN 2299 6.1/PG 3
Appearance Clear colorless liquid
Safety 26-36-37/39-16
Risk Codes 20-36/37/38-40
Molecular Structure
Hazard Symbols Xn,Xi,F
Synonyms Aceticacid, dichloro-, methyl ester (6CI,7CI,8CI,9CI);1,1-Dichloro-2-methoxy-2-oxoethane;Methyl2,2-dichloroacetate;Methyl dichloroacetate;UN2299;NSC 2882;
PSA 26.30000
LogP 0.96310

Synthetic route

: 79-36-7
dichloroacethyl chloride

: 116-54-1
dichloroacetic acid methyl ester

Conditions

Conditions	Yield
In hydrogenchloride	94.3%

: 67-56-1
methanol

: 1768-31-6
pentachloroacetone

A: 67-66-3
chloroform

B: 116-54-1
dichloroacetic acid methyl ester

Conditions

Conditions	Yield
With calcinated sodium carbonate for 2h; Heating;	A n/a B 85.4%

...Expand

: 591-78-6
n-hexan-2-one

: 598-99-2
Methyl trichloroacetate

A: 116-54-1
dichloroacetic acid methyl ester

B: 3875-95-4
dimethyl tetrachlorosuccinate

C: methyl 3-methyl-2-chlorohept-2-enoate

Conditions

Conditions	Yield
With iodine; iron pentacarbonyl In benzene for 2h; Condensation; Heating;	A 6% B 10% C 80%

...Expand

: carbonic acid dichloromethyl ester 1-ethoxy-ethyl ester

: 122-52-1
triethyl phosphite

A: diethyl 1-ethoxyethylphosphonate

B: 78-40-0
triethyl phosphate

C: 116-54-1
dichloroacetic acid methyl ester

Conditions

Conditions	Yield
at 50 - 80℃; for 4.5h; Title compound not separated from byproducts;	A n/a B n/a C 28%

...Expand

: 598-99-2
Methyl trichloroacetate

: 116-54-1
dichloroacetic acid methyl ester

Conditions

Conditions	Yield
With copper acetylacetonate; methyl phosphite at 150℃;	21%

: 598-99-2
Methyl trichloroacetate

: 868-85-9
Dimethyl phosphite

: 116-54-1
dichloroacetic acid methyl ester

Conditions

Conditions	Yield
With copper acetylacetonate at 100 - 150℃;	21%

: 79-43-6
dichloro-acetic acid

: 34557-54-5
methane

: 76-05-1
trifluoroacetic acid

A: 116-54-1
dichloroacetic acid methyl ester

B: 431-47-0
trifluoroacetic acid-methyl ester

Conditions

Conditions	Yield
With ammonium iodate; potassium chloride In water under 2585.81 Torr; for 24h; Pressure; Photolysis; Sealed tube;	A 17% B 16%

...Expand

: 67-56-1
methanol

: 79-43-6
dichloro-acetic acid

: 116-54-1
dichloroacetic acid methyl ester

Conditions

Conditions	Yield
With sulfuric acid
With hydrogenchloride

: 67-56-1
methanol

: 302-17-0
chloral hydrate

: 151-50-8
potassium cyanide

: 116-54-1
dichloroacetic acid methyl ester

...Expand

: 67-56-1
methanol

: 24298-56-4
2,2-diacetoxy-1,1,1-trichloro-ethane

: 151-50-8
potassium cyanide

: 116-54-1
dichloroacetic acid methyl ester

...Expand

: 79-36-7
dichloroacethyl chloride

: 109-88-6, 16436-83-2, 16436-85-4
magnesium methanolate

: 116-54-1
dichloroacetic acid methyl ester

Conditions

Conditions	Yield
With methanol; Petroleum ether

: 108676-75-1
dichloro-malonic acid monomethyl ester

: 116-54-1
dichloroacetic acid methyl ester

Conditions

Conditions	Yield
beim Erhitzen;

: 67-56-1
methanol

: 151-50-8
potassium cyanide

: 75-87-6
chloral

: 116-54-1
dichloroacetic acid methyl ester

...Expand

: 79-43-6
dichloro-acetic acid

: 77-78-1
dimethyl sulfate

: 116-54-1
dichloroacetic acid methyl ester

Conditions

Conditions	Yield
at 200℃;
With tetra(n-butyl)ammonium hydrogensulfate; sodium sulfate In water at 55℃; Methylation; esterification;

: 67-56-1
methanol

: 76-03-9
trichloroacetic acid

: 116-54-1
dichloroacetic acid methyl ester

Conditions

Conditions	Yield
With zinc Behandeln des Reaktions-gemisches mit konz. Schwefelsaeure;

: 67-56-1
methanol

: 79-36-7
dichloroacethyl chloride

: 116-54-1
dichloroacetic acid methyl ester

: 425-87-6
2-chloro-1,1,2-trifluoroethyl methyl ether

: 116-54-1
dichloroacetic acid methyl ester

Conditions

Conditions	Yield
With sulfuric acid; silica gel

: 67-56-1
methanol

: 3338-76-9
chloromethyl dichloroacetate

A: 15454-33-8
chloromethanol

B: 116-54-1
dichloroacetic acid methyl ester

Conditions

Conditions	Yield
With perchloric acid; sodium perchlorate; water at 25℃; Rate constant; Mechanism;

...Expand

: 67-56-1
methanol

: 780-32-5
4-nitrophenyl 2,2-dichloroacetate

A: 100-02-7
4-nitro-phenol

B: 116-54-1
dichloroacetic acid methyl ester

Conditions

Conditions	Yield
pyridine at 25.1℃; Rate constant; Thermodynamic data; also with 2,6-dimethylpyridine; kobs, k1, k2; ΔH(excit), ΔS(excit.);

...Expand

: 67-56-1
methanol

: 145285-72-9
1,2,2-trichloro-1-acetoxyethene

: 116-54-1
dichloroacetic acid methyl ester

Conditions

Conditions	Yield
for 0.5h; Heating;

: 79-43-6
dichloro-acetic acid

: 3,5-Dichloro-3,5-bis-chloromethyl-[1,2,4]trioxolane

A: 116-54-1
dichloroacetic acid methyl ester

B: 96-34-4
methyl chloroacetate

Conditions

Conditions	Yield
1) CDCl3, 60 deg C, 7 d; 2) 30 min; Yield given. Multistep reaction. Yields of byproduct given;

...Expand

: 69814-51-3
1,1-dichloro-2,2-dimethoxy-ethene

: 116-54-1
dichloroacetic acid methyl ester

Conditions

Conditions	Yield
With hydrogenchloride; water In [D3]acetonitrile

: 67-56-1
methanol

: 129309-01-9
3,5,5-Trimethyl-4,5-dihydro-pyrazole-1-carboxylic acid (2,2-dichloro-acetyl)-amide

A: 3786-02-5
3,5,5-trimethyl-4,5-dihydro-1H-pyrazole-1-carboxamide

B: 116-54-1
dichloroacetic acid methyl ester

Conditions

Conditions	Yield
Heating;

...Expand

: 129309-01-9
3,5,5-Trimethyl-4,5-dihydro-pyrazole-1-carboxylic acid (2,2-dichloro-acetyl)-amide

A: 3786-02-5
3,5,5-trimethyl-4,5-dihydro-1H-pyrazole-1-carboxamide

B: 116-54-1
dichloroacetic acid methyl ester

Conditions

Conditions	Yield
With methanol Heating;

: 359-29-5
trichlorofluoroethene

: 124-41-4
sodium methylate

A: 116-54-1
dichloroacetic acid methyl ester

B: 141739-71-1
1,1-dichloro-2,2,2-trimethoxyethane

C: 433-50-1
2,2-Dichloro-1-fluorovinyl methyl ether

Conditions

Conditions	Yield
In methanol at 40 - 50℃; for 0.333333h;

...Expand

: 157672-80-5
trans-form of 1.2-dichloro-1-bromo-ethene

: 124-41-4
sodium methylate

A: 74-83-9
methyl bromide

B: 74-87-3
methylene chloride

C: 42345-81-3
1,2-dichloro-1-methoxy-ethene

D: 116-54-1
dichloroacetic acid methyl ester

E: 96-34-4
methyl chloroacetate

F: (E)-1-Bromo-1,2-dichloro-2-methoxy-ethene

Conditions

Conditions	Yield
In acetonitrile for 1h; Product distribution; Ambient temperature; various nucleophiles;

...Expand

: 67-56-1
methanol

: 683-72-7
dichloroacetamide

: 7637-07-2
boron trifluoride

: 116-54-1
dichloroacetic acid methyl ester

Conditions

Conditions	Yield
anfangs unter Eiskuehlung;

...Expand

: 74-88-4
methyl iodide

silver-dichloroacetate: silver-dichloroacetate

: 116-54-1
dichloroacetic acid methyl ester

Conditions

Conditions	Yield
With benzene

: 75-07-0
acetaldehyde

: 1-ethoxyethyl dichloroethanoate

: 121-45-9
phosphorous acid trimethyl ester

A: 116-54-1
dichloroacetic acid methyl ester

B: 69054-02-0
O,O-dimethyl-1-(1-ethoxy)ethoxyethyl phosphonate

Conditions

Conditions	Yield
at 50℃; for 19h;

...Expand

: 116-54-1
dichloroacetic acid methyl ester

: 459-57-4
4-fluorobenzaldehyde

: 160727-95-7
methyl 3-chloro-3-(4-fluorophenyl)-2-oxopropanoate

Conditions

Conditions	Yield
With sodium methylate In tert-butyl methyl ether at 20℃; for 3h; Heating / reflux;	100%
With sodium methylate In tetrahydrofuran at 0 - 85℃; for 3h; Darzens Condensation;	70%
With sodium methylate In tetrahydrofuran at 0 - 85℃; for 2.83333h; Darzens Condensation;	70%
With potassium tert-butylate In tetrahydrofuran at -60 - 20℃;	50%
With potassium tert-butylate In tetrahydrofuran at -78 - 20℃;

: 116-54-1
dichloroacetic acid methyl ester

: 2-(2-chlorophenyl)cyclopent-2-en-1-one

: methyl 6-chloro-1-(2-chlorophenyl)-2-oxobicyclo[3.1.0]hexane-6-carboxylate

Conditions

Conditions	Yield
Stage #1: dichloroacetic acid methyl ester With lithium hexamethyldisilazane In tetrahydrofuran at -78℃; for 0.75h; Inert atmosphere; Stage #2: 2-(2-chlorophenyl)cyclopent-2-en-1-one In tetrahydrofuran at 23℃; Inert atmosphere;	100%

: 2426-87-1
3-methoxy-4-(phenylmethoxy)benzaldehyde

: 116-54-1
dichloroacetic acid methyl ester

: 93878-20-7
(E)-3-(3-methoxy-4-(benzyloxy)phenyl)methyl acrylate

Conditions

Conditions	Yield
With chromium dichloride In tetrahydrofuran at 20℃; for 12h;	99%

: 3132-99-8
m-bromobenzoic aldehyde

: 116-54-1
dichloroacetic acid methyl ester

: 79432-87-4
methyl m-bromocinnamate

Conditions

Conditions	Yield
With chromium dichloride In tetrahydrofuran at 20℃; for 12h;	99%

: 116-54-1
dichloroacetic acid methyl ester

: 104-55-2
3-phenyl-propenal

: 38447-05-1, 38448-84-9, 101934-35-4, 121411-05-0, 1516-24-1, 24196-39-2
(2E,4E)-methyl 5-phenylpenta-2,4-dienoate

Conditions

Conditions	Yield
With chromium dichloride In tetrahydrofuran at 20℃; for 12h;	99%

: 116-54-1
dichloroacetic acid methyl ester

: 85514-45-0
tert-butyl((5-iodopentyl)oxy)dimethylsilane

: C14H28Cl2O3Si

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide at 0℃; for 4h;	99%

: 104-53-0
3-phenyl-propionaldehyde

: 116-54-1
dichloroacetic acid methyl ester

: 26429-97-0
methyl (2E)-5-phenyl-2-pentenoate

Conditions

Conditions	Yield
With chromium dichloride In tetrahydrofuran at 20℃; for 12h;	98%
With manganese In tetrahydrofuran for 3h; Heating;	89%
With manganese In tetrahydrofuran for 3h; Reflux; Inert atmosphere; optical yield given as %de; stereoselective reaction;	89%

: 455-19-6
4-Trifluoromethylbenzaldehyde

: 116-54-1
dichloroacetic acid methyl ester

: 20754-22-7
methyl (2E)-3-(4-(trifluoromethyl)phenyl)prop-2-enoate

Conditions

Conditions	Yield
With chromium dichloride In tetrahydrofuran at 20℃; for 12h;	98%

: 120-57-0
piperonal

: 116-54-1
dichloroacetic acid methyl ester

: 40918-96-5
methyl (2E)-3-(1,3-benzodioxol-5-yl)acrylate

Conditions

Conditions	Yield
With chromium dichloride In tetrahydrofuran at 20℃; for 12h;	98%

: 116-54-1
dichloroacetic acid methyl ester

: 34713-70-7
2-Phenylpropanal

: 64252-49-9
(E)-4-Phenyl-2-pentensaeure-methylester

Conditions

Conditions	Yield
With chromium dichloride In tetrahydrofuran at 20℃; for 12h;	98%
With manganese In tetrahydrofuran for 3h; Heating;	85%
With manganese In tetrahydrofuran for 3h; Reflux; Inert atmosphere; optical yield given as %de; stereoselective reaction;	85%

: 116-54-1
dichloroacetic acid methyl ester

: 123-11-5
4-methoxy-benzaldehyde

: 3901-07-3
3-(4-methoxy-phenyl)acrylic acid methyl ester

Conditions

Conditions	Yield
With chromium dichloride In tetrahydrofuran at 20℃; for 12h;	98%

: 116-54-1
dichloroacetic acid methyl ester

: 119-62-0, 716-61-0, 2792-51-0, 2792-52-1, 2964-48-9, 3689-55-2, 63526-31-8, 71115-69-0, 140694-64-0
(1S,2S)-2-amino-1-(4-nitrophenyl)propane-1,3-diol

: 134-90-7
L-threo-chloramphenicol

Conditions

Conditions	Yield
In methanol at 70℃; for 2h;	97.8%
In methanol for 3h; Reflux;	80%
With methanol

: 116-54-1
dichloroacetic acid methyl ester

: 119-62-0, 716-61-0, 2792-51-0, 2792-52-1, 2964-48-9, 3689-55-2, 63526-31-8, 71115-69-0, 140694-64-0
(1R,2R)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol

: 56-75-7
chloramphenicol

Conditions

Conditions	Yield
In methanol at 23 - 40℃; for 9h; Inert atmosphere;	97%
at 90℃; for 1h;	80%
Amidation;	74%

: 116-54-1
dichloroacetic acid methyl ester

: 100-52-7
benzaldehyde

: 103-26-4
Methyl cinnamate

Conditions

Conditions	Yield
With chromium dichloride In tetrahydrofuran at 20℃; for 12h;	97%
With manganese In tetrahydrofuran for 3h; Heating;	72%
With manganese In tetrahydrofuran for 3h; Reflux; Inert atmosphere; optical yield given as %de; stereoselective reaction;	72%
With chloro-trimethyl-silane; zinc In tetrahydrofuran at 50℃; for 3h;	70%

: 116-54-1
dichloroacetic acid methyl ester

: 104-87-0
4-methyl-benzaldehyde

: 2-chloro-3-p-tolyl-oxirane-2-carboxylic acid methyl ester

B: 191152-70-2
methyl 3-chloro-3-(4-methylphenyl)-2-oxopropionate

Conditions

Conditions	Yield
With potassium tert-butylate In tetrahydrofuran at -80 - 20℃; for 17h; Darzens condensation;	A n/a B 97%

...Expand

: 116-54-1
dichloroacetic acid methyl ester

: 5736-03-8
(d,l) isopropylidene glyceraldehyde

: methyl 2-chloro-3-(2,2-dimethyl-1,3-dioxolan-4-yl)oxirane-2-carboxylate

Conditions

Conditions	Yield
With potassium tert-butylate at 20℃; for 24h; Darzens condensation;	97%

: 116-54-1
dichloroacetic acid methyl ester

: 566-88-1
dihydrocholesterone

: 138192-85-5, 138207-52-0
3'-chlorospiro<5α-cholestan-3α:2'-oxirane>-3'-carboxylate de methyle

Conditions

Conditions	Yield
With sodium methylate In methanol; diethyl ether at -15℃;	96%

: 116-54-1
dichloroacetic acid methyl ester

: 76639-93-5, 105182-37-4, 118015-48-8
(1R,2S)-2-amino-3-fluoro-1-<4-(methylsulphonyl)phenyl>-1-propanol

: 73231-34-2
Florfenicol

Conditions

Conditions	Yield
With triethylamine In methanol at 20℃;	96%
With triethylamine In methanol for 18h; Ambient temperature;	84%
With triethylamine for 3.5h; Heating; Yield given;

: 116-54-1
dichloroacetic acid methyl ester

: 84194-36-5
2-chloro-4-fluorobenzaldehyde

: methyl 2-chloro-3-(2-chloro-4-fluorophenyl)oxirane-2-carboxylate

Conditions

Conditions	Yield
With sodium t-butanolate In tetrahydrofuran at -78 - 20℃; for 3.5h; Darzens Condensation;	96%

: 116-54-1
dichloroacetic acid methyl ester

: 51458-28-7
(1R,2R)-2-amino-1-<4-(methylsulphonyl)phenyl>-1,3-propanediol

: 15318-45-3
thiamphenicol

Conditions

Conditions	Yield
With triethylamine In methanol at 30℃; for 8h; Inert atmosphere;	95%
In methanol at 23 - 40℃; for 16h; Inert atmosphere;	92%
With ethanol

: 116-54-1
dichloroacetic acid methyl ester

: 119-62-0, 716-61-0, 2792-51-0, 2792-52-1, 2964-48-9, 3689-55-2, 63526-31-8, 71115-69-0, 140694-64-0
(+/-)-threo-2-amino-1-(p-nitrophenyl)-propane-1,3-diol

: 56-75-7, 134-90-7, 579-51-1, 2787-09-9, 3419-87-2, 7384-89-6, 7387-98-6, 50762-99-7, 126787-77-7, 140694-65-1
threo (+/-)-2,2-dichloro-N-<2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl> acetamide

Conditions

Conditions	Yield
at 100 - 110℃; for 2h;	95%

: 1012335-47-5
1-(4-methoxy-dibenzofuran-1-yl)-4-oxo-cyclohexane carbonitrile

: 116-54-1
dichloroacetic acid methyl ester

: 1012336-01-4
2-chloro-6-cyano-6-(4-methoxy-dibenzofuran-1-yl)-1-oxa-spiro[2,5]octane-2-carboxylic acid methyl ester

Conditions

Conditions	Yield
With sodium methylate In tetrahydrofuran at 0 - 20℃; for 1h;	95%

: (1R,2S)-2-amino-3-fluoro-1-(4-methylsulphonylphenyl)-1-propanol hydrochloride

: 116-54-1
dichloroacetic acid methyl ester

: 73231-34-2
Florfenicol

Conditions

Conditions	Yield
With triethylamine In methanol Heating;	95%
With sodium hydrogencarbonate In methanol at 50℃; for 16h;	5.6 g
With triethylamine In methanol at 50℃; for 10h;	7.1 g

: 116-54-1
dichloroacetic acid methyl ester

: (2S,3R)-methyl 2-[(tert-butoxycarbonyl)amino]-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propanoate

: methyl 2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-(methylsulfonyl)phenyl)propanoate

Conditions

Conditions	Yield
Stage #1: (2S,3R)-methyl 2-[(tert-butoxycarbonyl)amino]-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propanoate With hydrogenchloride In ethyl acetate at 0 - 20℃; for 2h; Stage #2: dichloroacetic acid methyl ester With sodium hydrogencarbonate In water at 0℃; for 1h;	95%

: 116-54-1
dichloroacetic acid methyl ester

: 98-95-3
nitrobenzene

: 148582-35-8
methyl chloro-(4-nitrophenyl)-acetate

Conditions

Conditions	Yield
With potassium tert-butylate In N,N-dimethyl-formamide at -15℃; for 4h;	94%
With potassium tert-butylate In N,N-dimethyl-formamide at -15℃;	80%

: 116-54-1
dichloroacetic acid methyl ester

: 13039-93-5
2,2:4,5-di-O-isopropylidene-D-arabinose

: (S)-2-Chloro-3-((4R,5S,4'R)-2,2,2',2'-tetramethyl-[4,4']bi[[1,3]dioxolanyl]-5-yl)-oxirane-2-carboxylic acid methyl ester

Conditions

Conditions	Yield
With potassium methanolate In methanol; diethyl ether at 0℃; Darzens reaction;	94%

: (S)-(+)-N-(5-phenylpentylidene)-p-toluenesulfinamide

: 116-54-1
dichloroacetic acid methyl ester

: (Ss,3S)-(+)-methyl N-(p-toluenesulfinyl)-2,2-dichloro-3-amino-7-phenylheptanoate

Conditions

Conditions	Yield
Stage #1: dichloroacetic acid methyl ester With lithium hexamethyldisilazane In tetrahydrofuran at -78℃; for 0.5h; Stage #2: (S)-(+)-N-(5-phenylpentylidene)-p-toluenesulfinamide In tetrahydrofuran at -78℃; for 0.166667h; Further stages.;	94%

: (S)-(+)-N-(i-propylidene)-p-toluenesulfinamide

: 116-54-1
dichloroacetic acid methyl ester

: (Ss,3S)-(+)-methyl N-(p-toluenesulfinyl)-2,2-dichloro-3-amino-4-methylpentanoate

Conditions

Conditions	Yield
Stage #1: dichloroacetic acid methyl ester With lithium hexamethyldisilazane In tetrahydrofuran at -78℃; Stage #2: (S)-(+)-N-(i-propylidene)-p-toluenesulfinamide In tetrahydrofuran at -78℃; Further stages.;	94%

: 288-32-4
1H-imidazole

: 116-54-1
dichloroacetic acid methyl ester

: C9H10N4O2

Conditions

Conditions	Yield
With tetrabutyl-ammonium chloride; potassium carbonate In tetrahydrofuran Reagent/catalyst; Solvent; Reflux;	93.85%

Methyldichloroacetate Consensus Reports

Reported in EPA TSCA Inventory.

Methyldichloroacetate Standards and Recommendations

DOT Classification: 6.1; Label: KEEP AWAY FROM FOOD

Methyldichloroacetate Specification

The Methyldichloroacetate with CAS registry number of 116-54-1 is also known as Acetic acid,2,2-dichloro-, methyl ester. The IUPAC name is Methyl 2,2-dichloroacetate. It belongs to product categories of Pharmaceutical Intermediates; C2 to C5; Carbonyl Compounds; Esters; Alpha sort; H-MAlphabetic; M; META-METH; Pesticides & Metabolites; 500 Series Drinking Water Methods; EPA; Method 552. Its EINECS registry number is 204-146-8. In addition, the formula is C₃H₄Cl₂O₂ and the molecular weight is 142.97. What's more, this chemical is a clear colorless liquid and should be sealed in ventilated, dry place away from heat, fire and oxidants.

Physical properties about Methyldichloroacetate are: (1)ACD/LogP: 0.99; (2)ACD/LogD (pH 5.5): 0.99; (3)ACD/LogD (pH 7.4): 0.99; (4)ACD/BCF (pH 5.5): 3.33; (5)ACD/BCF (pH 7.4): 3.33; (6)ACD/KOC (pH 5.5): 82.41; (7)ACD/KOC (pH 7.4): 82.41; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.436; (11)Molar Refractivity: 27.37 cm³; (12)Molar Volume: 104.6 cm³; (13)Surface Tension: 32.7 dyne/cm; (14)Density: 1.365 g/cm³; (15)Flash Point: 80 °C; (16)Enthalpy of Vaporization: 39.28 kJ/mol; (17)Boiling Point: 142.8 °C at 760 mmHg; (18)Vapour Pressure: 5.5 mmHg at 25 °C.

Preparation of Methyldichloroacetate: it is prepared by esterification reaction of dichloroacetic acid and methanol. Firstly, dichloroacetic acid is added to reactor and heated to 120 °C. Then methanol is dropped to participate in the reaction. Secondly, crude product is dissolved in 10% sodium carbonate solution at room temperature and ester layer is washed with water. At last, the crude ester is vacuum distilled to collecting distillate at 65 °C (8.0 kPa) to obtain product. Equation is as follows:

Cl₂CHCOOH + CH₃OH → Cl₂CHCOOCH₃ + H₂O

Uses of Methyldichloroacetate: it is used as intermediate for organic synthesis, pharmaceutical synthesis and even synthesis of dye. For example, it is used to produce 2,4-dichlordecansaeuremethylester by reaction with oct-1-ene. The reaction occurs with reagent iron filings and solvents dimethylformamide, 1,2-dichloro-ethane at the temperature of 100 °C for 24 hours. The yield is about 76%.

Methyldichloroacetate is used to produce 2,4-dichlordecansaeuremethylester by reaction with oct-1-ene.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. Though it is harmful by inhalation, there is limited evidence of a carcinogenic effect. During using it, wear suitable protective clothing, gloves and eye/face protection. Keep away from sources of ignition. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. SMILES: ClC(Cl)C(=O)OC
2. InChI: InChI=1/C3H4Cl2O2/c1-7-3(6)2(4)5/h2H,1H3
3. InChIKey: HKMLRUAPIDAGIE-UHFFFAOYAG
4. Std. InChI: InChI=1S/C3H4Cl2O2/c1-7-3(6)2(4)5/h2H,1H3
5. Std. InChIKey: HKMLRUAPIDAGIE-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LCLo	inhalation	2000ppm/30M (2000ppm)	LUNGS, THORAX, OR RESPIRATION: "FIBROSIS, FOCAL (PNEUMOCONIOSIS)" LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES GASTROINTESTINAL: OTHER CHANGES	Toxicology and Applied Pharmacology. Vol. 19, Pg. 1, 1971.

Product Name

Dichloroacetic acid methyl ester

Synthetic route

Methyldichloroacetate Consensus Reports

Methyldichloroacetate Standards and Recommendations

Methyldichloroacetate Specification

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