Chlorodifluoroacetic acid Chlorodifluoroacetic acid
Structural formula
| Business number | 01KP |
|---|---|
| Molecular formula | C2HClF2O2 |
| Molecular weight | 130.48 |
| label |
difluorochloroacetic acid, Monochlorodifluoroacetic acid, 2-chloro-2,2-difluoroacetic acid, F2ClCCOOH |
Numbering system
CAS number:76-04-0
MDL number:MFCD00004176
EINECS number:200-928-8
RTECS number:None
BRN number:956625
PubChem number:24892614
Physical property data
1. Physical property data
1. Characteristics: colorless crystal.
2. Density (g/mL,25/4℃)：1.48
3. Relative vapor density (g/mL,AIR=1): Unsure
4. Melting point (ºC): 24-26℃
5. Boiling point (ºC,Normal pressure):122℃
6. Boiling point (ºC,5.2kPa): Unsure
7. Refractive index:1.3545-1.3565.
8. Flash Point (ºC): Unsure
9. Specific optical rotation (º): Unsure
10. Autoignition point or ignition temperature (ºC): Unsure
11. Vapor pressure (kPa,25ºC): Unsure
17. Explosion limit (%,V/V): Unsure
18. Lower explosion limit (%,V/V): Unsure
19. Solubility: Easily soluble in water
Toxicological data
None
Ecological data
None
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 18.02
2. Molar volume (m3/mol）：78.5
3. isotonic specific volume (90.2K):186.0
4. Surface Tension (dyne/cm):31.5
5. Polarizability（10-24cm3):7.14
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.2
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 37.3
7. Number of heavy atoms: 7
8. Surface charge: 0
9. Complexity: 91.7
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
Storage method
None
Synthesis method
None
Purpose
None
>Moore Volume (m3/mol): 78.5
3. isotonic specific volume (90.2K):186.0
4. Surface Tension (dyne/cm):31.5
5. Polarizability（10-24cm3):7.14
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.2
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 37.3
7. Number of heavy atoms: 7
8. Surface charge: 0
9. Complexity: 91.7
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
Storage method
None
Synthesis method
None
Purpose
None