chlorodifluoroacetic acid chlorodifluoroacetic acid

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: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