4-nitrophenethyl alcohol 4-nitrophenethyl alcohol
structural formula
| business number | 02hk |
|---|---|
| molecular formula | c8h9no3 |
| molecular weight | 167.16 |
| label |
p-nitrophenyl alcohol, 4-nitrophenylethyl alcohol, o2nc6h4ch2ch2oh, aurora ka-7063, beta-(p-nitrophenyl)ethanol, 4-nitrobenzeneethanol, 4-nitrophenethyl alcohol, akos 90322, 2-(p-nitrophenyl)ethanol, 2-(4-nitrophenyl)ethanol, 2-(4-nitrophenyl)ethyl alcohol |
numbering system
cas number:100-27-6
mdl number:mfcd00010202
einecs number:202-835-8
rtecs number:sg8602000
brn number:1866148
pubchem number:24886589
physical property data
1. character: this product is yellow or slightly yellow crystal
2. density (g/ml, 20℃): undetermined
3. relative vapor density (g/ ml, air = 1): undetermined
4. melting point (ºc): 59-62
5. boiling point (ºc, normal pressure): undetermined
6. boiling point (ºc, 16mmhg): 177
7. refractive index: undetermined
8. flash point (ºc): undetermined
9. specific rotation (º): not determined
10. autoignition point or ignition temperature (ºc): not determined
11. vapor pressure (mmhg, 20ºc): not determined 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
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17. explosion upper limit (%, v/v): undetermined
18. explosion lower limit (%, v/v): undetermined
19. dissolution gender: undetermined
toxicological data
mutagenicity: mutant microorganism test: bacteria-salmonella typhimurium, 3333μg/plate;
ecological data
none yet
molecular structure data
1. molar refractive index: 43.88
2. molar volume (cm3/mol): 131.5
3. isotonic specific volume (90.2k ): 356.0
4. surface tension (dyne/cm): 53.6
5. dielectric constant:
6. dipole moment (10-24cm3):
7. polarizability: 17.39
compute 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: 2
5. number of tautomers: none
6. topological molecule polar surface area 66
7. number of heavy atoms: 12
8. surface charge: 0
9. complexity: 147
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
used in organic synthesis
