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Benzenesulfonylacetone
[CAS# 5000-44-2]

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Identification
Classification Chemical reagent >> Organic reagent >> Fatty ketone (including enol)
Name Benzenesulfonylacetone
Synonyms 1-Phenylsulfonylacetone; St5115721; Sdccgmls-0064564.P001
Molecular Structure CAS#: 5000-44-2, Benzenesulfonylacetone
Molecular Formula C9H10O3S
Molecular Weight 198.24
CAS Registry Number 5000-44-2
SMILES C1=CC=CC=C1[S](CC(C)=O)(=O)=O
InChI 1S/C9H10O3S/c1-8(10)7-13(11,12)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey YBLGSNMIIPIRFC-UHFFFAOYSA-N
Properties
Density 1.2±0.1g/cm3 (Cal.)
Melting point 54-57°C (Expl.)
Boiling point 371.7±34.0°C at 760 mmHg (Cal.)
Flash point 228.1±18.3°C (Cal.)
Safety Data
Safety Description CAUTION: May irritate eyes, skin, and respiratory tract
SDS Available
References
(1) Qihui Chen, Ke Wang and Chengye Yuan. A chemo-enzymatic synthesis of chiral secondary alcohols bearing sulfur-containing functionality, New J. Chem., 2009, 33, 972.
Market Analysis Reports
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