Methyl trifluoroacetate
Structural formula
| Business number | 04T0 |
|---|---|
| Molecular formula | C3H3F3O2 |
| Molecular weight | 128.05 |
| label |
Methyl trifluoroacetate, Methyl trifluoroethyl ester, 2,2,2-Trifluoroacetate methyl ester, Trifluoroacetate methyl ester (TFAM), Methyl trifluoroacetylate, Methyl trifluoromethyl ester, Methyl trichloroacetate, 98+%, TRIFLUOROACETIC ACID METHYL ESTER, METHYL TRIFLUOROACETATE, Acetic acid, trifluoro-, methyl ester, trifluoro-aceticacimethylester, TFAME, Methyltrifluoroacetate,97%, Trifluoroacetic Acid Methyl Ether, Methyl trifluoroacetate 99% |
Numbering system
CAS number:431-47-0
MDL number:MFCD00000417
EINECS number:207-074-5
RTECS number:None
BRN number:1756070
PubChem number:24855016
Physical property data
一 , physical property data
Traits ：Colorless liquid.
Density (g/mL,25/4℃): 1.273
Relative Vapor density (g/mL, air=1)：Not available
Melting point (ºC): -78
Boiling point (ºC, normal pressure): 43-43.5
Boiling point (ºC, 5.2kPa): Not available
Refraction Rate: 1.2907
Flash Point (ºC): -7
Optical rotation (º): Not available
Spontaneous combustion Point or ignition temperature (ºC): Not available
Steam Pressure (kPa, 25ºC): Not available
saturated Vapor pressure (kPa, 60ºC): Not available
Burn Heat (KJ/mol):Not available
Critical Temperature (ºC): Not available
Critical Pressure (KPa): Not available
oil and water Log value of the (octanol/water) partition coefficient:Not available
Explosion Upper limit (%, V/V): Not available
Explosion Lower limit (%, V/V): Not available
Dissolve Sex:Soluble in ethanol and ether, insoluble in water.
Toxicological data
Two , Toxicological data:
Acute Toxicity:Not available .
Ecological data
Three , Ecological data:
1 , Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.
Molecular structure data
1、 Molar refractive index:18.17
2、 Molar volume（m3/mol)：97.9
3、 Isotonic specific volume (90.2K):199.8
4、 Surface tension（dyne/cm)：17.3
5、 Polarizability(10-24cm3)：7.20
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 5
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 26.3
7. Number of heavy atoms: 8
8. Surface charge: 0
9. Complexity: 95.2
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
None yet
Synthesis method
Obtained from the esterification of trifluoroacetic acid and methanol. Mix methanol and trifluoroacetic acid, add concentrated sulfuric acid, reflux for 5 hours, then perform efficient fractionation, and collect the fractions before 50°C. Fractionate again and collect the 40-43°C fraction which is methyl trifluoroacetate. The yield is 80%.
Purpose
Used in organic synthesis.