4,7-Dichloroquinoline

Structural formula

Business number	01XD
Molecular formula	C9H5Cl2N
Molecular weight	198.05
label	None yet

• 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.