CAS 67310-56-9 1-(5-Hydroxypyridin-2-yl)ethan-1-one (HCID 12416231)

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Basic information

CAS: 67310-56-9
Standard SMILES: CC(=O)c1ccc(O)cn1
InChIKey: WESGRMTVUPBJHT-UHFFFAOYSA-N
Molecular formula: C7H7NO2
Average molar mass: 137.14 g/mol
Monoisotopic mass: 137.04767846

Names & identifiers

Preferred name: 1-(5-Hydroxypyridin-2-yl)ethan-1-one
IUPAC: 1-(5-hydroxy-2-pyridinyl)ethanone
English name: Ethanone, 1-(5-hydroxy-2-pyridinyl)- (9CI)
Molecular formula: C7H7NO2
Molecular weight: 137.14

Names & synonyms

67310-56-91-(5-HYDROXYPYRIDIN-2-YL)ETHAN-1-ONEDTXSID20497251RefChem:225776DTXCID204480611-(5-Hydroxypyridin-2-yl)ethanone1-(5-hydroxy-2-pyridinyl)ethanone1-(5-hydroxy-2-pyridyl)ethanoneMFCD10697710Ethanone, 1-(5-hydroxy-2-pyridinyl)- (9CI)1-(5-hydroxy-pyridin-2-yl)-ethanone6-acetyl-3-pyridinol

Show more names

KML-97KML-661-(5-Hydroxypyridin-2-yl)1-(5-hydroxy-2-pyridinyl)-EthanoneEtEthanone, 1-(5-hydroxy-2-pyridinyl)Ethanone, 1-(5-hydroxy-2-pyridinyl)- (9CI) ISO 9001：2015 REACH

SCHEMBL1027521ETHANONE, 1-(5-HYDROXY-2-PYRIDINYL)-DTXSID2049725WESGRMTVUPBJHT-UHFFFAOYSA-NAKOS006303176AB60308CS-W021245DS-4538

Database identifiers

CAS: 67310-56-9
PubChem CID: 12416231
DTXSID: DTXSID20497251

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 50.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 136

Physicochemical properties

Boiling point: 383.7 · 383.7±22.0 °C(Predicted)
Density: 1.217 · 1.217±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 8.15 · 8.15±0.10(Predicted)
Appearance: White to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 280 · P280-P305+P351+P338-P310
HS Code: 2933399990 · 2933399990

Safety & regulation

Safety data

hs_code: 2933399990
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H332-H335
Precautionary statements: P280-P305+P351+P338-P310

Chemistry & industry

Suppliers76 total

上海康恩博医药科技有限公司17510465506 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Hong Kong Tiansheng New Material Trading Co., Ltd+8617320695765 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

Related reactions

3 records

New reaction record

HRID 834231As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1685416As reactantuspto-grants-2012_04

HRID 1807701As reactantuspto-grants-2013_01

Compound notes

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