2,3-Dibromobenzothiophene - CAS 6287-82-7

Catalog:	BB031863
Product Name:	2,3-Dibromobenzothiophene
CAS:	6287-82-7
Synonyms:	2,3-dibromo-1-benzothiophene; 2,3-dibromo-1-benzothiophene

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Computed Properties

IUPAC Name:	2,3-dibromo-1-benzothiophene
Description:	2,3-Dibromobenzothiophene (CAS# 6287-82-7) is a useful research chemical.
Molecular Weight:	291.99
Molecular Formula:	C8H4Br2S
Canonical SMILES:	C1=CC=C2C(=C1)C(=C(S2)Br)Br
InChI:	InChI=1S/C8H4Br2S/c9-7-5-3-1-2-4-6(5)11-8(7)10/h1-4H
InChI Key:	TWZSIAFEFBKCNN-UHFFFAOYSA-N
Boiling Point:	345.1 °C at 760 mmHg
Density:	2.008 g/cm³
MDL:	MFCD06798119
LogP:	4.42630

Publication Number	Title	Priority Date
US-2021040112-A1	Heteroacene and organic electroluminescence device using the same	20190806
CN-109438471-A	Tricyclic isoxazole class compound and the preparation method and application thereof	20181017
CN-108172330-A	A kind of direction waterproof cable	20171220
CN-108172330-B	Longitudinal watertight cable	20171220
CN-106883248-A	A kind of small molecule material preparation method and applications based on condensed ring furans	20170322

PMID	Publication Date	Title	Journal
23073643	20121207	Efficient synthesis of thieno[3,2-b:4,5-b']diindoles and benzothieno[3,2-b]indoles by Pd-catalyzed site-selective C-C and C-N coupling reactions	Organic & biomolecular chemistry
11895409	20020322	Synthesis of 2,3-disubstituted benzo[b]thiophenes via palladium-catalyzed coupling and electrophilic cyclization of terminal acetylenes	The Journal of organic chemistry

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GHS Hazard Statement:	H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P280, P301+P310, P305+P351+P338, P321, P330, P337+P313, P405, and P501
Signal Word:	Danger

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	291.83800
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	289.84005
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4