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