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.