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| CAS No.: | 431-47-0 |
|---|---|
| Name: | Methyl trifluoroacetate |
| Article Data: | 121 |
| Molecular Structure: | |
|
|
|
| Formula: | C3H3F3O2 |
| Molecular Weight: | 128.051 |
| Synonyms: | Acetic acid, trifluoro-, methyl ester;methyl 2,2,2-trifluoroacetate;2,2,2-Trifluoroacetic acid methyl ester （Trifluoroacetic acid methyl ester ）;Mthyl trifluoroacetate; |
| EINECS: | 207-074-5 |
| Density: | 1.307 g/cm3 |
| Melting Point: | -78 °C |
| Boiling Point: | 40.2 °C at 760 mmHg |
| Flash Point: | 19 °F |
| Solubility: | water: 8 g/L |
| Appearance: | clear colorless liquid |
| Hazard Symbols: |
 F, C
|
| Risk Codes: | 11-34 |
| Safety: | 16-26-36/37/39-45 |
| Transport Information: | UN 2924 3/PG 2 |
| PSA: | 26.30000 |
| LogP: | 0.72170 |
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Chemistry
IUPAC Name: methyl 2,2,2-trifluoroacetate
Following is the structure of Methltrifuoroacetate (CAS NO.431-47-0):
Empirical Formula: C3H3F3O2
Molecular Weight: 128.0499
Index of Refraction: 1.297
Molar Refractivity: 18.17 cm3
Molar Volume: 97.9 cm3
Density: 1.307 g/cm3
Flash Point: °C
Storage temp.: 0-6 °C
Water Solubility: 8 g/L
Surface Tension: 17.3 dyne/cm
Enthalpy of Vaporization: 28.47 kJ/mol
Boiling Point: 40.2 °C at 760 mmHg
Vapour Pressure: 427 mmHg at 25 °C
Sensitive of Methltrifuoroacetate (CAS NO.431-47-0): Moisture Sensitive
Appearance of Methltrifuoroacetate (CAS NO.431-47-0): clear colorless liquid
Product Categories: PHARMACEUTICAL INTERMEDIATES; Biochemistry; Reagents for Oligosaccharide Synthesis; C2 to C5; Carbonyl Compounds; Esters
Canonical SMILES: COC(=O)C(F)(F)F
InChI: InChI=1S/C3H3F3O2/c1-8-2(7)3(4,5)6/h1H3
InChIKey: VMVNZNXAVJHNDJ-UHFFFAOYSA-N
Toxicity Data With Reference
Methltrifuoroacetate (CAS NO.431-47-0) 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
R11:Highly flammable.
R34:Causes burns.
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: 1
F: 19
Hazard Note: Flammable/Corrosive
TSCA: T
HazardClass: 3
PackingGroup: II
HS Code: 29159080
Specification
Methltrifuoroacetate , its cas register number 431-47-0. It also can be called Methyl trifluoroacetate ; Acetic acid, 2,2,2-trifluoro-, methyl ester and so on.
Methltrifuoroacetate (CAS NO.431-47-0) could be stable under normal temperatures and pressures. It should avoid the condition like incompatible materials, ignition sources, exposure to moist air or water. 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: carbon monoxide, carbon dioxide, hydrogen fluoride gas. However, its hazardous polymerization will not occur.