4-Nitrobiphenyl 4-Nitrobiphenyl
Structural formula
| Business number | 025H |
|---|---|
| Molecular formula | C12H9NO2 |
| Molecular weight | 199.21 |
| label |
p-Nitrobiphenyl, 4-biphenylcarboxylic acid, p-phenylbenzoic acid, biphenyl monocarboxylic acid, biphenyl-4-carboxylic acid, 4-bibenzoic acid, 1-Nitro-4-phenylbenzene, 4-Biphenylcarboxylic acid, 4-Phenylbenzoic acid, Biphenyl-4-carboxylic acid |
Numbering system
CAS number:92-93-3
MDL number:None
EINECS number:202-204-7
RTECS number:DV5600000
BRN number:973519
PubChem ID:None
Physical property data
1. Properties: colorless or yellow needle-like crystals
2. Density (g/mL, 25/4℃): 1.328
3. Relative vapor density (g /mL, air=1): Undetermined
4. Melting point (ºC): 113～114
5. Boiling point (ºC, normal pressure): 340
6. Boiling point (ºC, 5.2kPa): 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, 60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14 . Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19 . Solubility: Insoluble in water, slightly soluble in alcohol, easily soluble in ether, benzene and chloroform.
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 57.39
2. Molar volume (cm3/mol): 166.5
3. Isotonic specific volume (90.2K ): 436.1
4. Surface tension (dyne/cm): 47.0
5. Polarizability (10-24cm3): 22.75
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 45.8
7. Number of heavy atoms: 15
8. Surface charge: 0
9. Complexity: 210
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
Used as dye intermediate and plasticizer.
