116-54-1
Product Name:
Dichloroacetic acid methyl ester
Formula:
C3H4Cl2O2
Synonyms:
Dichloroacetic acid methyl ester;NSC 2882
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Methyl dichloroacetate appears as a colorless liquid with an ethereal odor. Combustible. Flash point 176 °F. Corrosive to metals and tissue. Used to make other chemicals. |
|---|---|
| Boiling Point | 289 °F at 760 mmHg (USCG, 1999) |
| Melting Point | -62 °F (USCG, 1999) |
| Flash Point | 176 °F (USCG, 1999) |
| Density | 1.3774 at 68 °F (USCG, 1999) - Denser than water; will sink |
| Vapor Pressure | 4.5 [mmHg] |
| Kovats Retention Index | 785 791 808 821 786 792 835 811.5 810 833.2 |
| Chemical Classes | Other Classes -> Halogenated Esters |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H332:Acute toxicity,inhalation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 142.97 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 141.9588348 g/mol |
| Monoisotopic Mass | 141.9588348 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 71.3 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Methyl dichloroacetate appears as a colorless liquid with an ethereal odor. Combustible. Flash point 176 °F. Corrosive to metals and tissue. Used to make other chemicals.