2-nitrobiphenyl 2-nitrobiphenyl

Structural formula

Business number	01WE
Molecular formula	C12H9NO2
Molecular weight	199.21
label	2-Nitrobiphenyl, 2-nitro-1,1′-biphenyl, 2-Nitro-1,1′-biphenyl

• 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:86-00-0

MDL number:MFCD00007126

EINECS number:201-646-8

RTECS number:DV5530000

BRN number:None

PubChem ID:None

Physical property data

1. Character:Light yellow to light red liquid or crystal .

2. Density (g/mL,25/4℃）：1.44

3. Relative vapor density (g/mL,AIR=1):5.9

4. Melting point (ºC):36.7℃

5. Boiling point (ºC,Normal pressure):325℃

6. Boiling point (ºC,5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flashpoint (ºC):178℃

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11.

1. Molar refractive index: 57.39

2. Molar volume (m³/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: 218

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

Keep sealed.

Synthesis method

By biphenyl by Made by controlling nitrification.

Purpose

used as plasticizer agents, antifungal agents, dye intermediates, etc.

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: 218

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

Keep sealed.

Synthesis method

By biphenyl by Made by controlling nitrification.

Purpose

used as plasticizer agents, antifungal agents, dye intermediates, etc.