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86-99-7 molecular structure
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7-chloroquinolin-4-ol

ChemBase ID: 109208
Molecular Formular: C9H6ClNO
Molecular Mass: 179.60304
Monoisotopic Mass: 179.0137915
SMILES and InChIs

SMILES:
Oc1ccnc2cc(Cl)ccc12
Canonical SMILES:
Clc1ccc2c(c1)nccc2O
InChI:
InChI=1S/C9H6ClNO/c10-6-1-2-7-8(5-6)11-4-3-9(7)12/h1-5H,(H,11,12)
InChIKey:
XMFXTXKSWIDMER-UHFFFAOYSA-N

Cite this record

CBID:109208 http://www.chembase.cn/molecule-109208.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-chloroquinolin-4-ol
IUPAC Traditional name
7-chloroquinolin-4-ol
Synonyms
7-CHLORO-4-HYDROXYQUINOLINE
7-Chloroquinolin-4-ol
7-Chloro-4-quinolinol
7-Chloro-4-hydroxyquinoline
7-氯-4-喹啉醇
7-氯-4-羟基喹啉
CAS Number
86-99-7
EC Number
201-715-2
MDL Number
MFCD00006778
Beilstein Number
125356
PubChem SID
162094951
24846703
PubChem CID
66593

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.568625  H Acceptors
H Donor LogD (pH = 5.5) 2.431234 
LogD (pH = 7.4) 2.4310887  Log P 2.4313798 
Molar Refractivity 46.765 cm3 Polarizability 19.410444 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)
Melting Point
276-279 °C(lit.) expand Show data source
278-282°C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
26-37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95+% expand Show data source
98+% expand Show data source
99% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C9H6ClNO expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05210225 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 105538 external link
Packaging
25, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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