2,3,4,5-tetrachlorobenzoic acid 2,3,4,5-tetrachlorobenzoic 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: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.