N-Methyl bis(trifluoroacetamide)

Structural formula

Business number	078W
Molecular formula	C5H3F6NO2
Molecular weight	223.07
label	N-methylbis(trifluoroacetamide), N-methylbistrifluoroacetamide, N,N-Bis(trifluoroacetyl)methylamine, MBTFA, CF3CON(CH3)COCF3, Reagents for gas chromatography analysis

• 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:685-27-8

MDL number:MFCD00000412

EINECS number:211-680-5

RTECS number:24896572

BRN number:1878402

PubChem ID:None

Physical property data

1. Characteristics: colorless liquid.

2. Density (g/mL,25/4℃): 1.547

3. Relative vapor density (g/mL,AIR=1): Undetermined

4. Melting point (ºC): Undetermined

5. Boiling point (ºC,Normal pressure): 121-122

6. Boiling point (ºC,5.2kPa): Undetermined

7. Refractive index: 1.346

8. Flash point (ºC): 42

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa,25ºC): Undetermined

12. Saturated vapor pressure (kPa,60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Logarial value of the partition coefficient of water: undetermined

17. Explosion limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: Undetermined.

Toxicological data

None

Ecological data

Usually not harmful to water, Do not discharge materials into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index:29.90

2. Molar Volume（m³/mol)：145.3

3. isotonic ratio （90.2K)：314.1

4. Surface tension（dyne/cm）：21.8

5. Dielectric constant:

6. Dipole moment（10^-24cm³） ：

7. Polarizability:11.85

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.7

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 8

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 37.4

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 228

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

Keep away from oxides, strong acids, and strong bases.

Storage method

Store in an airtight container and place Store in a cool, dry place. Store away from oxidizing agents. Keep away from open flames.

Synthesis method

None

Purpose

None