4-Methyl-2-nitrobenzene

Structural formula

Business number	03AF
Molecular formula	C8H9NO3
Molecular weight	167.16
label	CH3C6H3(NO2)OCH3, aromatic compounds

• 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:119-10-8

MDL number:MFCD00024540

EINECS number:204-296-4

RTECS number:None

BRN number:None

PubChem number:24862822

Physical property data

1. Characteristics: Yellow crystal.

2. Density (g/mL,25℃): 1.205

3. Relative vapor density (g/mL ,Air =1): Undetermined

4. Melting point (ºC):8- 9

5. Boiling point (ºC,Normal pressure): Undetermined

6. Boiling point (ºC, 14mmHg): 154

7. Refractive index:1.557

8. Flashpoint (ºC): Undetermined

9. Specific rotation (º): Undetermined

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

11. Vapor pressure (mmHg,ºC): Undetermined

12. Saturated vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Log value of the partition coefficient for water: undetermined

17. Explosion limit (%, V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: Undetermined

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

5. Molecular property data:

1, Moore Refractive index: 44.30

2, Moore Volume (m³/mol):141.5

3、 Isotonic specific volume (90.2K) ：357.0

4, Surface Tension (dyne/cm):40.4

5、 Polarizability (10^-24cm³):17.56

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: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 55

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 166

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

None yet

Synthesis method

None yet

Purpose

None yet

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4, Surface Tension (dyne/cm):40.4

5、 Polarizability (10^-24cm³):17.56

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: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 55

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 166

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

None yet

Synthesis method

None yet

Purpose

None yet

��Stability

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet