Methyldichloroacetate

Names

[ CAS No. ]:
116-54-1

[ Name ]:
Methyldichloroacetate

[Synonym ]:
C 12320200 Dichloroacetic
EINECS 204-146-8
MFCD00000843
methyl 2,2-dichloroacetate
Dichloroacetic Acid Methyl Ester
Methyl dichloroacetate

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

[ Water Solubility ]:
Slightly soluble

MSDS

Click to get detail MSDS

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

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2915400090

[ Summary ]:
2915400090 mono-, di- or trichloroacetic acids, their salts and esters

Articles

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)