Basic information
- CAS
2598-31-4- Standard SMILES
CC(=O)c1ccc(O)c2ncccc12- InChIKey
HZTCLDNADGMACV-UHFFFAOYSA-N- Molecular formula
- C11H9NO2
- Average molar mass
- 187.19 g/mol
- Monoisotopic mass
- 187.06332853
Names & identifiers
- Preferred name
- Quinacetol
- IUPAC
- 1-(8-hydroxyquinolin-5-yl)ethanone
- English name
- 1-(8-hydroxyquinolin-5-yl)ethanone
- Molecular formula
- C11H9NO2
- Molecular weight
- 187.19
Names & synonyms
2598-31-4QuinacetolEthanone, 1-(8-hydroxy-5-quinolinyl)-2KE2DMA89SNSC-40901NSC-68447DTXSID90180643UNII-9YSE0U52IWEINECS 260-579-2RefChem:178151DTXCID30103134Quinacetol [ISO]
Show more names
Q550540NSC 40901NSC 68447NSC 5230175-Acetyloxine5-Acetyl-8-quinolinol1-(8-Hydroxyquinolin-5-yl)
1-(8-hydroxyquinolin-5-yl)ethanone5-Acetyl-8-hydroxyquinoline1-(8-Hydroxy-5-quinolinyl)ethanone1-(8-HYDROXYQUINOLIN-5-YL)ETHAN-1-ONEQuinacetol free baseQuinacetol sulfate [ISO]8-Hydroxy-5-quinolyl methyl ketoneMFCD00086061
Database identifiers
- CAS
2598-31-4- PubChem CID
- 95877
- DTXSID
DTXSID90180643- ChEMBL
CHEMBL3251395- UNII
- 2KE2DMA89S
- Nikkaji
- J342.997K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 110 · 110-112°C
- Boiling point
- 321.94 °C · 321.94°C (rough estimate)
- Density
- 1.1963 · 1.1963 (rough estimate)
- refractive index
- 1.49 · 1.4900 (estimate)
- storage temp.
- Refrigerator
- solubility
- Chloroform, Methanol
- form
- Solid
- pka
- 3.7 · 3.70±0.10(Predicted)
- color
- Pale Brown
- FDA UNII
- 2 KE2DMA89S · 2KE2DMA89S
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933499090 · 2933499090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933499090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesQuinacetol (cas# 2598-31-4) is a compound useful in organic synthesis.
Upstream & downstream products
Downstream products
Suppliers31 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
河南伊诺凯新材料有限公司13290191024 13290191024 · [email protected]
Related reactions
6 records
Compound notes
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