4-Nitrobiphenyl

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: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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