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
al style=”background: white; margin: 0cm 0cm 0pt 77.75pt; text-indent: -54.75pt; line-height: 13.5pt; text-align: left; tab-stops: list 36.0pt; mso-pagination: wi -orphan; mso-margin-top-alt: auto; mso-margin-bottom-alt: auto” align=left>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
��stability
none yet
storage method
none yet
synthesis method
none yet
purpose
none yet