2,3,4,5-Tetrachlorobenzoic Acid 2,3,4,5-Tetrachlorobenzoic Acid
Structural formula
| Business number | 0143 |
|---|---|
| Molecular formula | C7H2Cl4O2 |
| Molecular weight | 259.9 |
| label |
2,3,4,5-Tetrachlorobenzoic acid |
Numbering system
CAS number:50-74-8
MDL number:None
EINECS number:None
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Properties: White or off-white crystalline powder.
2. Density (g/mL, 25/4℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 195 °C
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, 5.2 kPa): Undetermined
7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific rotation (º): Undetermined Determined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (kPa, 25 ºC): Not determined
12 . Saturated vapor pressure (kPa, 60 ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion Upper limit (%, V/V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
1. Acute toxicity: Mouse oral LD50: 562mg/kg
Ecological data
None
Molecular structure data
1. Molar refractive index: 52.76
2. Molar volume (cm3/mol): 149.7
3. Isotonic specific volume (90.2K ): 412.8
4. Surface tension (dyne/cm): 57.7
5. Polarizability (10-24cm3): 20.91
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): 4
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 1
5. Number of tautomers:
6. Topological molecular polar surface area (TPSA): 37.3
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 211
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Confirm�Number of stereocenters of chemical bonds: 0
14. Number of stereocenters of uncertain chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
This product should be sealed and stored in a dry place away from light.
Synthesis method
None
Purpose
Biochemical research. medicine.