2,3-Dibromothiophene - CAS 3140-93-0

Catalog:	BB020909
Product Name:	2,3-Dibromothiophene
CAS:	3140-93-0
Synonyms:	2,3-dibromothiophene

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Computed Properties

IUPAC Name:	2,3-dibromothiophene
Description:	2,3-Dibromothiophene (CAS# 3140-93-0) is a useful research chemical.
Molecular Weight:	241.93
Molecular Formula:	C4H2Br2S
Canonical SMILES:	C1=CSC(=C1Br)Br
InChI:	InChI=1S/C4H2Br2S/c5-3-1-2-7-4(3)6/h1-2H
InChI Key:	ATRJNSFQBYKFSM-UHFFFAOYSA-N
Boiling Point:	218-219 °C
Purity:	98 %
Density:	2.137 g/cm³
Appearance:	Clear yellowish to brownish liquid
MDL:	MFCD00005418
LogP:	3.27310

Publication Number	Title	Priority Date
CN-113354663-A	Acceptor material containing nitrogen hetero-trapezoidal condensed ring, and preparation method and application thereof	20200306
WO-2021174532-A1	Acceptor material of nitrogen-containing heterocyclic trapezoidal fused ring, and preparation method therefor and application thereof	20200306
WO-2021177290-A1	Method for producing mono-cross-coupled aromatic compound having leaving group	20200302
CN-111153896-A	Thiophene-carbazole core four-arm hole transport material and preparation method and application thereof	20200120
CN-111171036-A	Hole transport material with indole [3,2-b ] carbazole as core and preparation method and application thereof	20200120

PMID	Publication Date	Title	Journal
21222493	20110204	Synthesis of di-, tri-, and tetrasulfides through multifold carbon-sulfur cross-coupling reactions with indium tri(organothiolates) in a one-pot procedure	The Journal of organic chemistry
20925367	20101105	A three-step synthetic approach to asymmetrically functionalized 4H-cyclopenta[2,1-b:3,4-b']dithiophenes	The Journal of organic chemistry
20377255	20100507	Facile synthesis of a family of H8BINOL-amine compounds and catalytic asymmetric arylzinc addition to aldehydes	The Journal of organic chemistry
21583995	20090402	3,3',5,5'-Tetra-bromo-2,2'-bithio-phene	Acta crystallographica. Section E, Structure reports online
15962942	20050601	Prediction of genotoxicity of chemical compounds by statistical learning methods	Chemical research in toxicology

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GHS Hazard Statement:	H226 (91.49%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P310, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	66.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	241.82235
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	239.82440
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5