ChemicalBook--->CAS DataBase List--->116-54-1

116-54-1

116-54-1 Structure

116-54-1 Structure
IdentificationMore
[Name]

Dichloroacetic acid methyl ester
[CAS]

116-54-1
[Synonyms]

DICHLOROACETIC ACID METHYL ESTER
DIMETHOXYACETIC ACID METHYL ESTER
METHYL DICHLOROACETATE
Aceticacid,dichloro-,methylester
dichloro-aceticacimethylester
ethanoicacid,dichloro-,methylester
methyl2,2-dichloroacetate
methyldichloroethanoate
METHYL DICHLOROACETATE PESTANAL
METHYL DICHLOROACETATE, 99+%
METHYL DICHLOROACETATE, 1000MG, NEAT
METHYL DICHLOROACETATE extrapure
Methyl dichloroacetate solution
1,1-Dichloro-2-methoxy-2-oxoethane
Dichloroacetic acid methyl
[EINECS(EC#)]

204-146-8
[Molecular Formula]

C3H4Cl2O2
[MDL Number]

MFCD00000843
[Molecular Weight]

142.97
[MOL File]

116-54-1.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless liquid
[Melting point ]

-52 °C (lit.)
[Boiling point ]

143 °C (lit.)
[density ]

1.381 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.442(lit.)
[Fp ]

176 °F
[storage temp. ]

room temp
[solubility ]

4g/l
[form ]

Liquid
[color ]

Clear colorless
[PH]

3.8 (4g/l, H2O, 20℃)
[Water Solubility ]

Slightly soluble
[BRN ]

1747542
[InChI]

1S/C3H4Cl2O2/c1-7-3(6)2(4)5/h2H,1H3
[InChIKey]

HKMLRUAPIDAGIE-UHFFFAOYSA-N
[SMILES]

COC(=O)C(Cl)Cl
[Uses]

Organic intermediate.
[CAS DataBase Reference]

116-54-1(CAS DataBase Reference)
[NIST Chemistry Reference]

Acetic acid, dichloro-, methyl ester(116-54-1)
[EPA Substance Registry System]

116-54-1(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H332-H335
[Precautionary statements ]

P261-P264-P271-P302+P352-P304+P340+P312-P305+P351+P338
[Hazard Codes ]

Xn,Xi,F
[Risk Statements ]

R20:Harmful by inhalation.
R36/37/38:Irritating to eyes, respiratory system and skin .
R40:Limited evidence of a carcinogenic effect.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
S16:Keep away from sources of ignition-No smoking .
[RIDADR ]

UN 2299 6.1/PG 3
[WGK Germany ]

3
[RTECS ]

AG6625000
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

29154000
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 4 Inhalation
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
[Safety Profile]

Poisonous irritant to the skin, eyes, and mucous membranes. Hydrolyzes upon contact with moisture to form a product corrosive to tissue. See also DICHLOROACETIC ACID and ESTERS. Dangerous; when heated to decomposition it emits hghly toxic fumes of phosgene and Cl-.
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Methanol-->Sulfuric acid-->Chloroacetic acid-->Dichloroacetic acid
[Preparation Products]

Chloroacetic acid-->Chloramphenicol-->Thiamphenicol-->Creatinine-->Florfenicol-->Methyl trichloroacetate
Hazard InformationBack Directory
[General Description]

A colorless liquid with an ethereal odor. Combustible. Flash point 176°F. Corrosive to metals and tissue. Used to make other chemicals.
[Reactivity Profile]

METHYL DICHLOROACETATE(116-54-1) produces toxic fumes of phosgene and HCl when heated [USCG, 1999].
[Air & Water Reactions]

Decomposed by water to dichloroacetic acid, a corrosive material with evolution of heat [USCG, 1999].
[Hazard]

Strong irritant to tissue. Forms corrosiveproducts on hydrolysis, keep dry.
[Health Hazard]

Extremely destructive to the eyes, nose, throat, and upper respiratory tract. May be fatal as a result of spasm, inflammation and edema of the larynx and bronchi, chemical pneumonitis, and pulmonary edema. Symptoms of exposure include burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea, and vomiting.
[Fire Hazard]

Special Hazards of Combustion Products: Produces toxic fumes of phosgene and HCl.
[Chemical Properties]

clear colorless liquid
[Synthesis Reference(s)]

Journal of the American Chemical Society, 90, p. 5307, 1968 DOI: 10.1021/ja01021a065
The Journal of Organic Chemistry, 28, p. 1133, 1963
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Dichloroacetic acid methyl ester(116-54-1).msds
Spectrum DetailBack Directory
[Spectrum Detail]

Dichloroacetic acid methyl ester(116-54-1)MS
Dichloroacetic acid methyl ester(116-54-1)1HNMR
Dichloroacetic acid methyl ester(116-54-1)13CNMR
Dichloroacetic acid methyl ester(116-54-1)IR1
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