structural formula
| business number | 01h9 |
|---|---|
| molecular formula | c10h7cl2no |
| molecular weight | 228.07 |
| label |
chloroquinadol, 5,7-dichloro-2-methyl-8-hydroxyquinoline, 5,7-dichloro-8-hydroxyquinaldine, 5,7-dichloro-2-methyl-8-hydroxyquinoline, 5,7-dichloro-8-quinaldol, 5,7-dichloro-2-methyl-8-quinolinol, hydroxydichloroquinaldine, bcm |
numbering system
cas number:72-80-0
mdl number:mfcd00023984
einecs number:200-789-3
rtecs number:vc5600000
brn number:156683
pubchem number:24893930
physical property data
1. character: uncertain
2. density (g/ml,25/4℃): unsure
3. relative vapor density (g/ml,air=1): unsure
4. melting point (ºc):108-112 (dec.)(lit.)
5. boiling point (ºc,normal pressure): unsure
6. boiling point (ºc, 5.2 kpa): unsure
7. refractive index:not sure
8. flash point (ºc): unsure
9. specific optical rotation (º): unsure
10. autoignition point or ignition temperature (ºc): unsure
11. vapor pressure (kpa,25 ºc): unsure
12. saturated vapor pressure (kpa,60 ºc): unsure
13. heat of combustion (kj/mol): unsure
14. critical temperature (ºc): unsure
15. critical pressure (kpa): unsure
16. oil and water (octanol/log value of water) partition coefficient: uncertain
17. explosion limit (%,v/v): unsure
18. lower explosion limit (%,v/v): unsure
19. solubility:insoluble in water
toxicological data
acute toxicity: rat oral administration ld50: 660 mg/kg; dog oral administration ld50: 2250 mg/kg;rabbit oral ld50：160 mg/kg;
mutagenic:aspergillus nidulanssex chromosome nondisjunction loss and testing system ：1 gm/l;
ecological data
none
molecular structure data
5. molecular property data:
1. molar refractive index: 58.68
2. molar volume (m3/mol):155.3
3. isotonic specific volume (90.2k):429.6
4. surface tension (dyne/cm):58.4
5. polarizability（10-24cm3):23.26
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 3.5
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 2
4. number of rotatable chemical bonds: 0
5. number of tautomers: 2
6. topological molecule polar surface area 33.1
7. number of heavy atoms: 14
8. surface charge: 0
9. complexity: 214
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
storage method
none
synthesis method
none
purpose
none
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