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431-47-0

Basic Information
CAS No.: 431-47-0
Name: Methyl trifluoroacetate
Article Data: 121
Molecular Structure:
Molecular Structure of 431-47-0 (Methyl trifluoroacetate)
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: FlammableF,CorrosiveC
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: FlammableF,CorrosiveC
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.