5-nitroisoquinoline
Structural formula
| Business number | 069K |
|---|---|
| Molecular formula | C9H6N2O2 |
| Molecular weight | 174.16 |
| label |
None yet |
Numbering system
CAS number:607-32-9
MDL number:MFCD00006905
EINECS number:210-133-8
RTECS number:None
BRN number:134858
PubChem number:24847952
Physical property data
1. Physical property data
1. Melting point: 106-110℃Toxicological data
None yet
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): 1.9
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
Properties and stability:
No decomposition products may occur under normal temperatures and pressures.
Storage method
Storage:
Seal the secret container and store it in a sealed main container in a cool place Dry position.
Synthesis method
None yet
Purpose
None yet
