4,7-dichloroquinoline

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:86-98-6

mdl number:mfcd00006774

einecs number:201-714-7

rtecs number:vb4200000

brn number:125359

pubchem number:24848499

physical property data

1. character:acicular crystal

2. density (g/ml,25/4℃): undetermined

3. relative steam density (g/ml,air=1) : undetermined

4. melting point (ºc):93

5. boiling point (ºc,normal pressure): 148（ºc,1.33kpa）

6. boiling point (ºc,5.2kpa): undetermined

7. refractive index: undetermined

8. flash point (ºc):164

9. specific optical rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (kpa,25ºc): undetermined

salmonella: 500nmol/plate;

ecological data

none yet

molecular structure data

1. molar refractive index: 51.97

2. molar volume (m³/mol）：140.6

3. isotonic specific volume (90.2k):376.9

4. surface tension (dyne/cm):51.5

5. polarizability（10^-24cm³):20.60

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 1

4. number of rotatable chemical bonds: 0

5. number of tautomers: none

6. topological molecule polar surface area 12.9

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 163

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

this product should be sealed, dry and protected from light.

synthesis method

by7-chlorine-4-hydroxyquinoline is obtained by chlorination.

purpose

used as an intermediate for the drug chloroquine.

al”>（10^-24cm³ ): 20.60

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 1

4. number of rotatable chemical bonds: 0

5. number of tautomers: none

6. topological molecule polar surface area 12.9

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 163

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

this product should be sealed, dry and protected from light.

synthesis method

by7-chlorine-4-hydroxyquinoline is obtained by chlorination.

purpose

used as an intermediate for the drug chloroquine.