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
• 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: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 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.

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