3-Bromothiophene - CAS 872-31-1

Catalog:	BB038344
Product Name:	3-Bromothiophene
CAS:	872-31-1
Synonyms:	3-bromothiophene

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Computed Properties

IUPAC Name:	3-bromothiophene
Description:	3-Bromothiophene (CAS# 872-31-1) is a useful research chemical.
Molecular Weight:	163.04
Molecular Formula:	C4H3BrS
Canonical SMILES:	C1=CSC=C1Br
InChI:	InChI=1S/C4H3BrS/c5-4-1-2-6-3-4/h1-3H
InChI Key:	XCMISAPCWHTVNG-UHFFFAOYSA-N
Boiling Point:	150-158 °C
Melting Point:	-10 °C
Purity:	95 %
Density:	1.74 g/mL
Appearance:	Clear to pale yellow liquid
Storage:	0-6 °C
MDL:	MFCD00005464
LogP:	2.51060

Publication Number	Title	Priority Date
CN-113429383-A	Non-fullerene acceptor material, preparation method and application thereof	20210616
CN-113149976-A	N- (3-thienyl) -2-oxazole amine and preparation method thereof	20210331
CN-113200968-A	N- (3-thienyl) -3-pyrazolamine and preparation method thereof	20210331
CN-113189175-A	Preparation method of molecular imprinting sensor, product obtained by preparation method and application of molecular imprinting sensor	20210322
JP-2021093377-A	Method for manufacturing conductive particles	20210304

PMID	Publication Date	Title	Journal
22699749	20120728	Properties of poly(3-halidethiophene)s	Physical chemistry chemical physics : PCCP
22736491	20120727	Enhanced magnetic hardness in a nanoscale metal-organic hybrid ferrimagnet	Chemistry (Weinheim an der Bergstrasse, Germany)
22589835	20120401	[meso-5,10,15,20-Tetra-kis(5-bromo-thio-phen-2-yl)porphyrinato-κ(4)N,N',N'',N''']nickel(II)	Acta crystallographica. Section E, Structure reports online
22259466	20120101	3-[(2-Formyl-thio-phen-3-yl)(hy-droxy)meth-yl]thio-phene-2-carbaldehyde	Acta crystallographica. Section E, Structure reports online
21710286	20110901	Poly(3-alkylthiophenes): new sorption materials for solid phase microextraction of drugs isolated from human plasma	Analytical and bioanalytical chemistry

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GHS Hazard Statement:	H226 (95.29%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P272, P273, P280, P284, P301+P310, P302+P350, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P320, P321, P322, P330, P332+P313, P333+P313, P337+P313, P361, P362, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	46.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.91388
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	161.91388
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6