CAS 116-54-1|Methyldichloroacetate

Introduction：Basic information about CAS 116-54-1|Methyldichloroacetate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles6
7. Synonyms

Common Name	Methyldichloroacetate
CAS Number	116-54-1	Molecular Weight	142.969
Density	1.4±0.1 g/cm3	Boiling Point	142.8±0.0 °C at 760 mmHg
Molecular Formula	C₃H₄Cl₂O₂	Melting Point	-52 °C
MSDS	ChineseUSA	Flash Point	80.0±0.0 °C
Symbol	GHS07	Signal Word	Warning

Names

Name	Dichloroacetic acid methyl ester
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.4±0.1 g/cm3
Boiling Point	142.8±0.0 °C at 760 mmHg
Melting Point	-52 °C
Molecular Formula	C₃H₄Cl₂O₂
Molecular Weight	142.969
Flash Point	80.0±0.0 °C
Exact Mass	141.958832
PSA	26.30000
LogP	0.99
Vapour Pressure	5.5±0.2 mmHg at 25°C
Index of Refraction	1.436
InChIKey	HKMLRUAPIDAGIE-UHFFFAOYSA-N
SMILES	COC(=O)C(Cl)Cl
Water Solubility	Slightly soluble

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AG6625000

CHEMICAL NAME :: Acetic acid, dichloro-, methyl ester

CAS REGISTRY NUMBER :: 116-54-1

LAST UPDATED :: 199709

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C3-H4-Cl2-O2

MOLECULAR WEIGHT :: 142.97

WISWESSER LINE NOTATION :: GYGVO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2000 ppm/30M

TOXIC EFFECTS :: Lungs, Thorax, or Respiration - fibrosis, focal (pneumoconiosis) Lungs, Thorax, or Respiration - other changes Gastrointestinal - other changes

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 19,1,1971

Safety Information

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H315-H319-H332-H335
Precautionary Statements	P261-P305 + P351 + P338
Personal Protective Equipment	Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	Xi:Irritant
Risk Phrases	R36/37/38
Safety Phrases	S26-S36-S37/39-S16
RIDADR	UN 2299 6.1/PG 3
WGK Germany	3
RTECS	AG6625000
Packaging Group	III
Hazard Class	6.1(b)
HS Code	29154000

Customs

HS Code	2915400090
Summary	2915400090 mono-, di- or trichloroacetic acids, their salts and esters

Articles6

Stable chlorine isotope analysis of chlorinated acetic acids using gas chromatography/quadrupole mass spectrometry.

Rapid Commun. Mass Spectrom. 29 , 2341-8, (2015)

The environmental occurrence of chlorinated acetic acids (CAAs) has been extensively studied, but the sources and transport are still not yet fully understood. A promising approach for source apportio...

Diastereoselective cyclopropanation of cyclic enones with methyl dichloroacetate anion. Escribano A, et al.

Tetrahedron 57(46) , 9423-27, (2001)

The Base-catalyzed Condensation of a-Haloaldehydes with Dichloroacetates. Takeda A, et al.

Bull. Chem. Soc. Jpn. 45(4) , 1217-20, (1972)

Synonyms

C 12320200 Dichloroacetic

EINECS 204-146-8

MFCD00000843

methyl 2,2-dichloroacetate

Dichloroacetic Acid Methyl Ester

Methyl dichloroacetate

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