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Benzothiophene
[CAS 11095-43-5]

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Identification
Name Benzothiophene
Synonyms Benzothiophene; 1-Thiaindene; 2,3-Benzothiophene
Molecular Formula C8H6S
Molecular Weight 134.20
CAS Registry Number 11095-43-5
SMILES C1=CSC2=C1C=CC=C2
InChI 1S/C8H6S/c1-2-4-8-7(3-1)5-6-9-8/h1-6H
InChIKey FCEHBMOGCRZNNI-UHFFFAOYSA-N
Properties
Density 1.149 (Expl.)
1.2±0.1g/cm3 (Cal.)
Melting point 28-33°C (Expl.)
Boiling point 221-222°C (Expl.)
221.0±9.0°C at 760 mmHg (Cal.)
Flash point 62.0±4.9°C (Cal.)
30°C (Expl.)
Safety Data
Safety Code S36;S61  Details
Risk Code R22;R51/53  Details
Hazard Symbol symbol  symbol  X;N  Details
Transport Information UN3077
Safety Description WARNING: Irritates lungs, eyes, skin
WARNING: Irritates skin and eyes, harmful if swallowed
References
(1) Madavu Salian Subhas, Shailesh S. Racharlawar, B. Sridhar, P. Kavin Kennady, Pravin R. Likhar, Mannepalli Lakshmi Kantam and Suresh K. Bhargava. New cyclopalladated benzothiophenes: a catalyst precursor for the Suzuki coupling of deactivated aryl chlorides, Org. Biomol. Chem., 2010, 8, 3001.
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