2-(4-chloro-3-nitrobenzoyl)benzoic acid 2-(4-chloro-3-nitrobenzoyl)benzoic 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:85-54-1

mdl number:mfcd00007082

einecs number:201-613-8

rtecs number:none

brn number:none

pubchem number:24851747

physical property data

1. character: undetermined.

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

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

4. melting point (ºc):198-201℃

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, 25ºc): undetermined

12. saturated vapor pressure (kpa ,60ºc3. isotonic specific volume (90.2k): 580.3

4. surface tension (dyne/cm):65.6

5. polarizability（10^-24cm³):29.50

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: 5

4. number of rotatable chemical bonds: 3

5. number of tautomers: none

6. topological molecule polar surface area 100

7. number of heavy atoms: 21

8. surface charge: 0

9. complexity: 436

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 yet

storage method

this product should be sealed and stored in a cool and dry place.

synthesis method

by2-（4-chlorobenzoyl) benzoic acid is obtained by nitration.

purpose

intermediates for pharmaceuticals and dyes. used in the production of drugs chlorthalidone and vat bluebc. both products restore the product to 2-（4-chlorine-3-aminobenzoyl) benzoic acid.

蓝bc. both products restore the product to 2-（4-chlorine-3-aminobenzoyl) benzoic acid.