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59-31-4 molecular structure
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quinolin-2-ol

ChemBase ID: 78331
Molecular Formular: C9H7NO
Molecular Mass: 145.15798
Monoisotopic Mass: 145.05276385
SMILES and InChIs

SMILES:
n1c(ccc2ccccc12)O
Canonical SMILES:
Oc1ccc2c(n1)cccc2
InChI:
InChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)
InChIKey:
LISFMEBWQUVKPJ-UHFFFAOYSA-N

Cite this record

CBID:78331 http://www.chembase.cn/molecule-78331.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
quinolin-2-ol
IUPAC Traditional name
α-hydroxyquinoline
Synonyms
2-Hydroxyquinoline
2-Hydroxyquinoline 99%
Carbostyril
2-Quinolinol
2-Quinolinol
2-Hydroxyquinoline
CARBOSTYRIL
2-喹啉醇
2-羟基喹啉
2-羟基喹啉
喹诺酮
2-喹啉醇
CAS Number
59-31-4
70254-42-1
EC Number
200-420-6
274-516-1
MDL Number
MFCD00006743
Beilstein Number
2855
Merck Index
141825
PubChem SID
162043100
24879121
24856409
PubChem CID
6038

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.890634  H Acceptors
H Donor LogD (pH = 5.5) 2.421701 
LogD (pH = 7.4) 2.4217777  Log P 2.4217927 
Molar Refractivity 42.2737 cm3 Polarizability 17.596376 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
195-198 °C expand Show data source
196-199°C expand Show data source
198-199 °C(lit.) expand Show data source
198-200°C expand Show data source
Storage Warning
Harmful/Irritant expand Show data source
RTECS
FG7175000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-37/38-41 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37 expand Show data source
26-37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
Warning expand Show data source
GHS Hazard statements
H302-H315-H318-H335 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
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
≥95.0% 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)
C9H7NO expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05215241 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 270873 external link
Packaging
1 g in glass bottle
5 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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