2,5-Dibromothiophene - CAS 3141-27-3

Catalog:	BB020913
Product Name:	2,5-Dibromothiophene
CAS:	3141-27-3
Synonyms:	2,5-dibromothiophene

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Computed Properties

IUPAC Name:	2,5-dibromothiophene
Description:	2,5-Dibromothiophene (CAS# 3141-27-3) is a compound useful in organic synthesis.
Molecular Weight:	241.93
Molecular Formula:	C4H2Br2S
Canonical SMILES:	C1=C(SC(=C1)Br)Br
InChI:	InChI=1S/C4H2Br2S/c5-3-1-2-4(6)7-3/h1-2H
InChI Key:	KBVDUUXRXJTAJC-UHFFFAOYSA-N
Boiling Point:	211 ℃
Melting Point:	-6 ℃
Purity:	Techincal grade
Density:	2.147 g/cm³
Appearance:	Light yellow liquid
Storage:	0-6 ℃
MDL:	MFCD00005420
LogP:	3.27310
Vapor Pressure:	0.06 [mmHg]

Publication Number	Title	Priority Date
CN-113354598-A	Simple and efficient nitration method of aromatic heterocyclic compound	20210706
CN-113372556-A	Polyarylether sulfone copolymer with main chain containing platinum aromatic alkyne groups and preparation method thereof	20210630
CN-113214235-A	Thienyl and selenophenyl viologen derivatives, and synthetic method and application thereof	20210322
CN-112599744-A	Nitrogen-sulfur Co-doped porous carbon modified Co3O4Lithium ion battery cathode material and preparation method thereof	20201215
CN-112354565-A	Graphene oxide supported ruthenium catalyst and preparation method and application thereof	20201111

PMID	Publication Date	Title	Journal
22473252	20120521	Synthesis of functionalized thiophenes and oligothiophenes by selective and iterative cross-coupling reactions using indium organometallics	Organic & biomolecular chemistry
21842102	20111007	Rhenium ethoxy- and hydroxycarbene complexes with thiophene substituents	Dalton transactions (Cambridge, England : 2003)
21202153	20080329	4,4'-[Thio-phene-2,5-diylbis(ethyne-2,1-di-yl)]dibenzonitrile	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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Related Functional Groups

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GHS Hazard Statement:	H300 (12.77%): Fatal if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P201, P202, P261, P264, P270, P271, P272, P280, P281, P301+P310, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	58.7
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:	3.7