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.