4-nitrostyrene 4-nitrostyrene
structural formula
| business number | 02h8 |
|---|---|
| molecular formula | c8h7no2 |
| molecular weight | 149.15 |
| label |
4-nitrostyrene, p-nitrostyrene, 1-ethenyl-4-nitro-benzen, 1-ethenyl-4-nitrobenzene, p-nitro-styren, 4-nitrostyrene, 1-nitro-4-vinyl-benzene, 4-nitrostyrene, gc 97%, 4-nitrostyrene(stabilized with tbc), 1-(p-nitrophenyl)ethene |
numbering system
cas number:100-13-0
mdl number:none
einecs number:none
rtecs number:wl5470000
brn number:none
pubchem id:none
physical property data
1. characteristics: undetermined
2. density (g/ml, 20℃): undetermined
3. relative vapor density (g/ml, air=1 ): undetermined
4. melting point (ºc): 20
5. boiling point (ºc, normal pressure): undetermined
6. boiling point (ºc) , 10mmhg): 120
7. refractive index: undetermined
8. flash point (ºc): 109
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. log value of oil-water (octanol/water) partition coefficient: undetermined
17. explosion upper limit (%, v/v): undetermined
18. lower explosion limit (%, v/v): undetermined
19. solubility: undetermined
toxicological data
mutagenicity: mutagenic microorganism test: bacteria – salmonella typhimurium, 100μg/plate;
ecological data
none yet
molecular structure data
1. molar refractive index: 43.72
2. molar volume (cm3/mol): 127.2
3. isotonic specific volume (90.2k ): 327.7
4. surface tension (dyne/cm): 44.0
5. dielectric constant:
6. dipole moment (10-24cm3):
7. polarizability: 17.33
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: 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
none yet
