Methyl trifluoroacetate

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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.

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