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
• 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