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| CAS No.: | 1514-87-0 |
|---|---|
| Name: | METHYL CHLORODIFLUOROACETATE |
| Article Data: | 17 |
| Molecular Structure: | |
|
|
|
| Formula: | C3H3ClF2O2 |
| Molecular Weight: | 144.505 |
| Synonyms: | Aceticacid, chlorodifluoro-, methyl ester (6CI,8CI,9CI);Chlorodifluoroacetic acidmethyl ester;Methyl 2-chloro-2,2-difluoroacetate; |
| EINECS: | 216-154-9 |
| Density: | 1.391 g/cm3 |
| Boiling Point: | 80 °C at 760 mmHg |
| Flash Point: | 19.4 °C |
| Appearance: | Clear colourless liquid |
| Hazard Symbols: |
 F,  C
|
| Risk Codes: | 11-34-37 |
| Safety: | 16-26-36/37/39-45 |
| Transport Information: | UN 2924 3/PG 2 |
| PSA: | 26.30000 |
| LogP: | 0.99100 |
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Chemistry
IUPAC Name: Methyl 2-chloro-2,2-difluoroacetate
Following is the structure of Acetic acid,2-chloro-2,2-difluoro-, methyl ester (CAS NO.1514-87-0):
Empirical Formula: C3H3ClF2O2
Molecular Weight: 144.5045
EINECS: 216-154-9
Index of Refraction: 1.358
Molar Refractivity: 22.86 cm3
Molar Volume: 103.8 cm3
Density: 1.391 g/cm3
Flash Point: 19.4 °C
Sensitive: Moisture Sensitive
storage temp.: Flammables area
Surface Tension: 23.5 dyne/cm
Enthalpy of Vaporization: 32.08 kJ/mol
Boiling Point: 80 °C at 760 mmHg
Vapour Pressure: 87 mmHg at 25 °C
Appearance of Acetic acid,2-chloro-2,2-difluoro-, methyl ester (CAS NO.1514-87-0): colorless clear liquid
Product Categories of Acetic acid,2-chloro-2,2-difluoro-, methyl ester (CAS NO.1514-87-0): Fluorinated Building Blocks; Fluorinating Reagents & Building Blocks for Fluorinated Biochemical Compounds; Synthetic Organic Chemistry; C2 to C5; Carbonyl Compounds; Esters
Canonical SMILES: COC(=O)C(F)(F)Cl
InChI: InChI=1S/C3H3ClF2O2/c1-8-2(7)3(4,5)6/h1H3
InChIKey: AWUPLMYXZJKHEG-UHFFFAOYSA-N
Toxicity Data With Reference
Acetic acid,2-chloro-2,2-difluoro-, methyl ester (CAS NO.1514-87-0) hasn't been listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65. And the toxicological properties have not been fully investigated.
Safety Profile
Hazard Codes: 
F,
C
Risk Statements: 11-34-37
R11:Highly flammable.
R34:Causes burns.
R37:Irritating to respiratory system
Safety Statements: 16-26-36/37/39-45
S16:Keep away from sources of ignition.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 2924 3/PG 2
WGK Germany: 3
F: 19
Hazard Note: Highly Flammable/Moisture Sensitive
HazardClass: 3
PackingGroup: II
Specification
Acetic acid,2-chloro-2,2-difluoro-, methyl ester , its cas register number 1514-87-0. It also can be called Methyl chlorodifluoroacetate ; and Methyl 2-chloro-2,2-difluoroacetate .
Acetic acid,2-chloro-2,2-difluoro-, methyl ester (CAS NO.1514-87-0) should avoid the condition like incompatible materials, ignition sources. It is not compatible with strong oxidizing agents, strong reducing agents, strong acids, strong bases. And also prevent it to broken down into hazardous decomposition products: Hydrogen chloride, carbon monoxide, carbon dioxide, hydrogen fluoride gas. However, its hazardous polymerization has not been reported.