5-chloro-8-hydroxyquinoline 5-chloro-8-quinolinol

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

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.

>

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.