4-Methyl-2-nitrobenzene
Structural formula
| Business number | 03AF |
|---|---|
| Molecular formula | C8H9NO3 |
| Molecular weight | 167.16 |
| label |
CH3C6H3(NO2)OCH3, aromatic compounds |
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
