nitrosobenzene
Structural formula
| Business number | 05YX |
|---|---|
| Molecular formula | C6H5NO |
| Molecular weight | 107.11 |
| label |
1-nitrosobenzene, 1-Nitrosobenzene, analytical chemistry, electron spin resonance method, Spin trapping reagent |
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.