Home > Compound List > Compound details
57334-36-8 molecular structure
click picture or here to close

4-chloroquinolin-8-ol

ChemBase ID: 164632
Molecular Formular: C9H6ClNO
Molecular Mass: 179.60304
Monoisotopic Mass: 179.0137915
SMILES and InChIs

SMILES:
c1(cccc2c1nccc2Cl)O
Canonical SMILES:
Clc1ccnc2c1cccc2O
InChI:
InChI=1S/C9H6ClNO/c10-7-4-5-11-9-6(7)2-1-3-8(9)12/h1-5,12H
InChIKey:
DEPRJVQVGXOXRN-UHFFFAOYSA-N

Cite this record

CBID:164632 http://www.chembase.cn/molecule-164632.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloroquinolin-8-ol
IUPAC Traditional name
4-chloro-8-quinolinol
Synonyms
NSC 673455
4-Chloro-8-hydroxyquinoline
4-Chloro-8-quinolinol
4-Chloroquinolin-8-ol
CAS Number
57334-36-8
PubChem SID
162258767
PubChem CID
384164

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 384164 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.168919  H Acceptors
H Donor LogD (pH = 5.5) 2.424769 
LogD (pH = 7.4) 2.4239335  Log P 2.4313798 
Molar Refractivity 46.765 cm3 Polarizability 19.419842 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
DMSO expand Show data source
Methanol expand Show data source
MSDS Link
Download expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - C379985 external link
Antifungal activity against Aspergillus niger, A. oryzae, Myrothecium verrucaria, Trichoderma viride and Trichophyton mentagrophytes.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Gershon, H., et al.: J. Pharm. Sci., 80, 542 (1991)
  • • Gershon, H., et al.: Monatsh Chem., 122, 935 (1991).
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle