4-nitrophenethyl alcohol 4-nitrophenethyl alcohol

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

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