nitrosobenzene

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:586-96-9

mdl number:mfcd00002059

einecs number:209-591-1

rtecs number:da6497525

brn number:605688

pubchem number:24886616

physical property data

1. appearance: white or brown powder. has a special pungent smell. volatile. sensitive to air.

2. melting point (℃): 67～69

3. boiling point (℃, 2.40kpa): 59

4. solubility: soluble in ethanol ,insoluble in water.

toxicological data

low toxicity, ld50 (rat, oral) 780 mg/kg.

ecological data

none

molecular structure data

1. molar refractive index: 31.45

2. molar volume (cm³/mol): 102.2

3. isotonic specific volume (90.2k): 256.6

4. surface tension (dyne/cm): 39.7

5. polarizability (10^-24cm³): 12.50

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: 0

5. number of tautomers: none

6. topological molecule polar surface area 29.4

7. number of heavy atoms: 8

8. surface charge: 0

9. complexity: 76.6

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

storage method

this product should be stored in a nitrogen-filled seal at 4°c and kept ventilated.

synthesis method

none

purpose

organic synthesis. biochemical research.