2-Bromothiophene - CAS 1003-09-4

Catalog:	BB000168
Product Name:	2-Bromothiophene
CAS:	1003-09-4
Synonyms:	2-bromothiophene

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Computed Properties

IUPAC Name:	2-bromothiophene
Description:	2-Bromothiophene (CAS# 1003-09-4) is a compound useful in organic synthesis.
Molecular Weight:	163.04
Molecular Formula:	C4H3BrS
Canonical SMILES:	C1=CSC(=C1)Br
InChI:	InChI=1S/C4H3BrS/c5-4-2-1-3-6-4/h1-3H
InChI Key:	TUCRZHGAIRVWTI-UHFFFAOYSA-N
Boiling Point:	149-151 °C
Melting Point:	-10 °C
Purity:	96 %
Density:	1.684 g/cm³
Appearance:	Colorless to light yellow liqui
Storage:	2-8 °C
MDL:	MFCD00005417
LogP:	2.51060

Publication Number	Title	Priority Date
CN-113372326-A	Separation and purification method of 2- (4-fluorophenyl) thiophene	20210623
CN-113087876-A	Free radical polymer and application thereof	20210401
CN-112898282-A	D-pi-A type AIE-TADF near-infrared luminescent material and preparation method and application thereof	20210125
CN-112661942-A	P-type conjugated polymer based on 3-cyanothiophene, preparation method and photovoltaic application thereof	20201216
CN-112480066-A	Schiff base multifunctional fluorescent probe and preparation method and application thereof	20201127

PMID	Publication Date	Title	Journal
21951292	20111026	Synthesis of well-defined head-to-tail-type oligothiophenes by regioselective deprotonation of 3-substituted thiophenes and nickel-catalyzed cross-coupling reaction	Journal of the American Chemical Society
20817324	20101101	Use of phosphonyl carbanions in the synthesis of anti-inflammatory active phosphorus-containing fused heterocycles and relevance phosphonates	European journal of medicinal chemistry
20377255	20100507	Facile synthesis of a family of H8BINOL-amine compounds and catalytic asymmetric arylzinc addition to aldehydes	The Journal of organic chemistry
19339082	20090801	Synthesis and anti-VZV activity of 6-heteroaryl derivatives of tricyclic acyclovir and 9-{[cis-1',2'-bis(hydroxymethyl)cycloprop-1'-yl]methyl}guanine analogues	European journal of medicinal chemistry
18788782	20081017	9,10-Disubstituted octafluoroanthracene derivatives via palladium-catalyzed cross-coupling	The Journal of organic chemistry

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GHS Hazard Statement:	H226 (98.63%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P260, P262, P264, P270, P271, P280, P284, P301+P310, P302+P350, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P320, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P370+P378, 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:	2.8