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
