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
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 .
