structural formula

business number	014q
molecular formula	c7h4cl2o2
molecular weight	191.01
label	3,5-dichlorobenzoic acid, benzoic acid, 3,5-dichloro-

• 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:51-36-5

mdl number:mfcd00002494

einecs number:200-092-4

rtecs number:dg7350000

brn number:2044776

pubchem number:24861653

physical property data

1. properties: brown powder.

2. density (g/ml, 25/4℃): undetermined

3. relative vapor density (g/ml, air=1): undetermined

4. melting point (ºc): 188

5. boiling point (ºc, normal pressure): undetermined

6. boiling point (ºc, 5.2kpa): undetermined

7. refractive index: undetermined

8. flash point (ºc): undetermined

9. specific rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (kpa, 25ºc): undetermined

12. saturated vapor pressure (kpa, 60ºc): 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 subcutaneous ld50: 250mg/kg; mouse abdominal ld50: 237mg/kg

ecological data

none

molecular structure data

1. molar refractive index: 42.97

2. molar volume (cm³/mol): 125.8

3. isotonic specific volume (90.2k ): 341.1

4. surface tension (dyne/cm): 53.9

5. polarizability (10-24cm3): 17.03

compute chemical data

1. hydrophobic parameter calculation reference value (xlogp): 2.2

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 6

4. number of rotatable chemical bonds: 4

5. number of tautomers: 10

6. topological molecular polar surface area (tpsa): 101

p>

7. number of heavy atoms: 29

8. surface charge: 0

9. complexity: 786

10. number of isotope atoms ：0

11. determine the atomic stereocenter��number: 7

12. number of uncertain atomic stereocenters: 0

13. number of determined chemical bond stereocenters: 0

14. no determine the number of stereocenters of chemical bonds: 0

15, the number of covalent bond units: 1

properties and stability

none

storage method

none

synthesis method

none

purpose

none

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