3,4-dichlorobenzoic acid 3,4-dichlorobenzoic acid
structural formula
| business number | 014v |
|---|---|
| molecular formula | c7h4cl2o2 |
| molecular weight | 190 |
| label |
3-4-dichlorobenzoic acid, herbicide |
numbering system
cas number:51-44-5
mdl number:mfcd00002492
einecs number:200-099-2
rtecs number:dg7175000
brn number:2044777
pubchem number:24862562
physical property data
1. properties: white crystal.
2. density (g/ml, 25/4℃): undetermined
3. relative vapor density (g/ml, air=1): undetermined
4. melting point (ºc): 208.5
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: 400mg/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. reference value for hydrophobic parameter calculation (xlogp): none
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: none
6. topological molecule polar surface area 37.3
7. number of heavy atoms: 11
8. surface charge: 0
9. complexity: 161
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 0
13. determine the number of chemical bond stereocenters: 0
14. number of uncertain chemical bond stereocenters: 0
15. number of covalent bond units: 1
�quality and stability
none
storage method
seal and store in a cool place away from light.
synthesis method
none
purpose
used as an intermediate in organic synthesis
