2,6-dichlorobenzoic acid 2,6-dichlorobenzoic 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:50-30-6

mdl number:mfcd00002418

einecs number:200-025-9

rtecs number:dg7000000

brn number:973858

pubchem number:24893961

physical property data

1. properties: white to slightly yellow powder or needle-like crystals

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

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

4. melting point (ºc): 144°c (lit.)

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 optical rotation (º): undetermined

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

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

12. saturation vapor pressure (kpa, 60 ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. oil and water (octanol/ log value of the distribution coefficient of water): undetermined

17. explosion upper limit (%, v/v): undetermined

18. explosion lower limit (%, v/v): undetermined

19. solubility: soluble in ethanol, ether, acetone, fluoroform. water solubility 0.1-1 g/100 ml at 19 ºc

toxicological data

1. acute toxicity: mouse subcutaneous ld50: 1500mg/kg; mouse abdominal ld50: 316mg/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: 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: 11

8, surface charge: 0

9, complexity: 151

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

properties and stability

none

storage method

this product should be sealed and stored in a dry place away from light.

synthesis method

none

purpose

synthetic medicines and pesticides.