4-nitro-o-cresol 4-nitro-o-cresol
structural formula
| business number | 02fx |
|---|---|
| molecular formula | c7h7no3 |
| molecular weight | 153.14 |
| label |
2-hydroxy-5-nitrotoluene, 2-methyl-4-nitrophenol, 2-hydroxy-5-nitrotoluene, 2-methyl-4-nitrophenol, 4-nitro-o-cresol, 4-nitro-o-creso, phenol, 2-methyl-4-nitro-, 4-nitro-2-cresol, 4-nitro-o-cresol (oh=1), 2-methyl-4-nitrophenol (4-nitro-o-cresol) |
numbering system
cas number:99-53-6
mdl number:mfcd01734013
einecs number:202-763-7
rtecs number:gp2700000
brn number:none
pubchem number:24866464
physical property data
1. character: light yellow crystal
2. density (g/ml, 20℃): undetermined
3. relative vapor density (g/ml, air = 1): undetermined
4. melting point (ºc): 93-98
5. boiling point (ºc, normal pressure): undetermined
6. boiling point (ºc, kpa): not determined
7. refractive index: not determined
8. flash point (ºc): not determined
9. ratio optical rotation (º): not determined
10. autoignition point or ignition temperature (ºc): not determined
11. vapor pressure (mmhg, 20.2ºc): not determined
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. 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: undetermined
toxicological data
acute toxicity: mouse oral ld50: 390mg/kg;
ecological data
none yet
molecular structure data
1. molar refractive index: 39.50
2. molar volume (cm3/mol): 115.9
3. isotonic specific volume (90.2k ): 315.4
4. surface tension (dyne/cm): 54.7
5. dielectric constant:
6. dipole moment (10-24cm3):
7. polarizability: 15.66
calculate chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 0
5. number of tautomers: 3
6. topological molecule polar surface area 66
7. number of heavy atoms: 11
8. surface charge: 0
9. complexity: 154
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
organic synthesis intermediates.