4,7-Dichloroquinoline

4,7-dichloroquinoline structural formula

Structural formula

Business number 01XD
Molecular formula C9H5Cl2N
Molecular weight 198.05
label

None yet

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): 148ºC,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. Polarizability10-24cm3):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.

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/28276

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