2,5-dichloro-3-nitrobenzoic 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:88-86-8

mdl number:mfcd00014691

einecs number:201-862-2

rtecs number:dg7875000

brn number:1976119

pubchem number:24866894

physical property data

1. characteristics: crystalline.

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

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

4. melting point ( ºc): 220℃

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

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

7. refractive index: undetermined

8. flashpoint (ºc): undetermined

9. specific optical rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): not ok

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

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

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

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. oil and water (octanol/water) partition coefficient pair value: undetermined

17. explosion limit (%,v/v): not ok

18. lower explosion limit (%,v/v): not ok

19. solubility: undetermined

toxicological data

none

ecological data

none

molecular structure data

none

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: 4

4. number of rotatable chemical bonds: 1

5. number of tautomers: none

6. topological molecule polar surface area 83.1

7. number of heavy atoms: 14

8. surface charge: 0

9. complexity: 255

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 away from light.

synthesis method

none

purpose

organic synthesis.

erning: 0pt”>18. lower explosion limit (%,v/v): undetermined

19. solubility: undetermined

toxicological data

none

ecological data

none

molecular structure data

none

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: 4

4. number of rotatable chemical bonds: 1

5. number of tautomers: none

6. topological molecule polar surface area 83.1

7. number of heavy atoms: 14

8. surface charge: 0

9. complexity: 255

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 away from light.

synthesis method

none

purpose

organic synthesis.