5-Chloro-8-hydroxyquinoline 5-Chloro-8-quinolinol
Structural formula
| Business number | 03ME |
|---|---|
| Molecular formula | C9H6ClNO |
| Molecular weight | 179.60 |
| label |
chloroquine, 5-Chloro-8-hydroxyquinoline, aromatic compounds |
Numbering system
CAS number:130-16-5
MDL number:MFCD00006788
EINECS number:204-978-1
RTECS number:VC4590000
BRN number:5289
PubChem number:24857658
Physical property data
1. Melting point (℃):121-126
Toxicological data
1, acute toxicity: guinea pig oral LD5O: 1200mg/kg
2, mutagenicity: Salmonella gene mutation testing system: 50nmoL/plate
E. coli mutation testing system: 1mmol/L
Ecological data
None yet
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 48.96
2. Molar volume (m3/mol）：127.1
3. isotonic specific volume (90.2K):356.1
4. Surface Tension (dyne/cm):61.5
5. Polarizability（10-24cm3):19.41
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 2
6. Topological molecule polar surface area 33.1
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 165
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
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
Usage
Used in organic synthesis.
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6. Topological molecule polar surface area 33.1
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity :165
10. Number of isotope atoms: 0
11. Determined number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of stereocenters of chemical bonds: 0
14. Uncertain number of stereocenters of chemical bonds: 0
15. Number of covalent bond units :1
Properties and stability
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
Usage
Used in organic synthesis.