4,7-Dichloroquinoline
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): 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.
