2-(Hydroxymethyl)-1H-1-benzothiophene-1,1-dione

HCID 4661320CAS 134996-50-2

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Basic information

Standard SMILES
O=S1(=O)C(CO)=Cc2ccccc21
InChIKey
GMPSGLSPNPTTHT-UHFFFAOYSA-N
Molecular formula
C9H8O3S
Average molar mass
196.227 g/mol
Monoisotopic mass
196.01941512

Names & identifiers

Preferred name
2-(Hydroxymethyl)-1H-1-benzothiophene-1,1-dione
IUPAC
2-(Hydroxymethyl)-1H-1-benzothiophene-1,1-dione
English name
Benzothiophene sulfone-2-methanol 97
Molecular formula
C9H8O3S
Molecular weight
196.22

Names & synonyms

2-(hydroxymethyl)benzo[b]thiophene 1,1-dioxideBenzothiophene sulfone-2-methanol 97Benzothiophene sulfone-2-methanol 97%(1,1-dioxo-1-benzothiophen-2-yl)methanolBenzo[b]thiophene-2-Methanol 1,1-dioxide

Database identifiers

CAS
134996-50-2
PubChem CID
4661320
DTXSID
DTXSID10405340

Properties

Physicochemical properties

Melting point
113 · 113-117 °C (lit.)
Boiling point
462.3 · 462.3±37.0 °C(Predicted)
Density
1.453 · 1.453±0.06 g/cm3(Predicted)
pka
13.27 · 13.27±0.10(Predicted)
form
solid
InChI
1S/C9H8O3S/c10-6-8-5-7-3-1-2-4-9(7)13(8,11)12/h1-5,10H,6H2

Safety & regulation

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
Storage Class
13 - Non Combustible Solids

Chemistry & industry

Suppliers18 total

武汉杂环科技有限公司027-88041443 13072715837 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]

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