2-(4-Chloro-3-nitrobenzoyl)benzoic acid 2-(4-Chloro-3-nitrobenzoyl)benzoic acid
Structural formula
| Business number | 01VY |
|---|---|
| Molecular formula | C14H8ClNO5 |
| Molecular weight | 305.67 |
| label |
4-Chloro-3-nitrobenzophenone-2′-carboxylic Acid, ClC6H3(NO2)COC6H4CO2H |
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.
