5-nitroisoquinoline structural formula

5-nitroisoquinoline structural formula

Structural formula

Business number 069K
Molecular formula C9H6N2O2
Molecular weight 174.16

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


Seal the secret container and store it in a sealed main container in a cool place Dry position.

Synthesis method

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None yet


BDMAEE:Bis (2-Dimethylaminoethyl) Ether

CAS NO:3033-62-3

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