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.
