Structural formula
| Business number | 069M |
|---|---|
| Molecular formula | C9H6N2O2 |
| Molecular weight | 174.16 |
| label |
8-Nitroazepine |
Numbering system
CAS number:607-35-2
MDL number:MFCD00006806
EINECS number:210-135-9
RTECS number:VC1925000
BRN number:135178
PubChem number:24847955
Physical property data
Physical property data:
1. Character: colorless monoclinic crystal
2. Melting point91-92℃
3. Solubility: soluble in ethanol, ether and benzene, slightly soluble in cold water
Toxicological data
None
Ecological data
3. Ecological data:
1. Other harmful effects: This substance may be harmful to the environment and should be harmful to water bodies. Give special attention.
Molecular structure data
5. Molecular property data: 1、 Molar refractive index:48.73 2、 Molar volume (m3/mol):128.6 3、 Isotonic specific volume (90.2K):360.7 4、 Surface tension (dyne/cm):61.8 5, Polarizability (10-24cm3 ):19.31
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: 3
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 58.7
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 202
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
1. Properties: colorless Monoclinic crystal.
Storage method
Storage:
Seal the secret container and store it in a sealed main container in a cool place Dry position.
Synthesis method
2. Preparation method: from o-nitroaniline and glycerin in the presence of arsenic pentoxide and sulfuric acid, in130-135℃Reaction7-8h , just get it by ringing it8-Nitroquin phyline.
Purpose
3. Use: for Organic Synthesis.
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