Structural formula
| Business number | 078U |
|---|---|
| Molecular formula | C4HF6NO3 |
| Molecular weight | 225.05 |
| label |
N,O-bis(trifluoroacetyl)hydroxylamine, aliphatic compounds |
Numbering system
CAS number:684-78-6
MDL number:MFCD00013565
EINECS number:211-677-9
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Character:.
2. Density (g/mL,25/4℃):
3.Relative vapor density (g/mL,AIR=1): Undetermined
4. Melting point (ºC):
5. Boiling point (ºC,Normal pressure):
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive Index: Undetermined
8. Flashpoint (ºC): Undetermined
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:.
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 26.89
2. Molar volume（m3/ mol）：136.7
3. isotonic ratio（90.2K）：296.2
4. Surface Tension（dyne/cm）：22.0
5. Dielectric constant:
6. Dipole moment（10 -24cm3)：
7. Polarizability: 10.66
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.9
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 9
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: 2
6. Topological molecule polar surface area 55.4
7. Number of heavy atoms: 14
8. Surface charge: 0
9. Complexity: 242
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. Covalent bond�Quantity: 1
Properties and stability
None
Storage method
None
Synthesis method
None
Purpose
None
