chlorobacteric acid

Structural formula

Business number	037W
Molecular formula	C9H4Cl6O4
Molecular weight	388.84
label	1,4,5,6,7,7-hexachloro-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, Hexachloromethinetetrahydrophthalic acid, Chloroic acid, pesticides

• 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:115-28-6

MDL number:MFCD00167589

EINECS number:204-078-9

RTECS number:RB9000000

BRN number:None

PubChem number:24865759

Physical property data

1. Characteristics: White, fine, easy-flowing crystals

2. Density (g/mL, 25℃): Undetermined

3. Relative vapor density (g/mL,Air =1) Undetermined:

4. Melting point (ºC): 239- 242

5. Boiling point (ºC,Normal pressure): Undetermined

6. Boiling point (ºC,KPa)：Undetermined

7. Refractive index （n20/D）：Undetermined

8. Flashpoint (ºC): Undetermined

9. Specific optical rotation (ºC): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg,38ºC): Undetermined

12. Saturated vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

<SEthological data

None yet

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 71.36

2. Molar volume (m³/mol）：193.7

3. isotonic specific volume (90.2K):574.2

4. Surface Tension (dyne/cm):77.2

5. Polarizability（10^-24cm³):28.29

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 74.6

7. Number of heavy atoms: 19

8. Surface charge: 0

9. Complexity: 487

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 4

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 yet

Storage method

None yet

Synthesis method

None yet

Purpose

Fire-resistant polymeric ester resin, dye intermediates, pesticides .

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Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 74.6

7. Number of heavy atoms: 19

8. Surface charge: 0

9. Complexity: 487

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 4

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 yet

Storage method

None yet

Synthesis method

None yet

Purpose

Fire-resistant polymeric ester resin, dye intermediates, pesticides .