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.