Tetrabromothiophene - CAS 3958-03-0

Catalog:	BB024040
Product Name:	Tetrabromothiophene
CAS:	3958-03-0
Synonyms:	2,3,4,5-tetrabromothiophene

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2,3,4,5-tetrabromothiophene
Description:	Tetrabromothiophene (CAS# 3958-03-0) is a useful research chemical.
Molecular Weight:	399.72
Molecular Formula:	C4Br4S
Canonical SMILES:	C1(=C(SC(=C1Br)Br)Br)Br
InChI:	InChI=1S/C4Br4S/c5-1-2(6)4(8)9-3(1)7
InChI Key:	AVPWUAFYDNQGNZ-UHFFFAOYSA-N
Boiling Point:	326 ℃ / 760 mmHg
Purity:	98 %
Density:	2.782 g/cm³
Appearance:	White to light yellow crystal powder
Storage:	Keep in dark place. Sealed in dry. Room temperature.
MDL:	MFCD00005419
LogP:	4.79810

Publication Number	Title	Priority Date
CN-112408337-A	Method for controllably producing sulfur dioxide	20201114
KR-20210106389-A	Polymers based on bi-halogen atoms-substituted heterocyclic compounds, an organic solar cell comprising the same and manufacturing method of the polymers and the solar cell	20200220
KR-102275209-B1	photosensitive film composition for photosensor, photosensor comprising the same, and preparation method thereof	20200214
WO-2021162242-A1	Photosensitive layer composition for photosensor, photosensor comprising same, and preparation method thereof	20200214
CN-111137875-A	In-situ doped graphite monoalkyne, preparation method and application	20200114

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
21842887	20110916	Selective mono- to perarylations of tetrabromothiophene by a cyclobutene-1,2-diylbisimidazolium preligand	The Journal of organic chemistry
21202100	20080314	2,3,4-Tribromo-thio-phene	Acta crystallographica. Section E, Structure reports online
17873447	20071001	Structures of tetrabromothiophene and tetrabromoselenophene: the influence of the heteroatom on the heterophene packing	Acta crystallographica. Section B, Structural science

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Related Functional Groups

Halides

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1,2,3,5-Tetrafluorobenzene
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[13294-71-8]
2-Bromo-2-butene, mixture of cis and trans

Thiophenes

[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[13196-28-6]
2-Phenyl-1-(thiophen-2-yl)ethanone
[610259-52-4]
Ethyl 1-(thiophen-2-ylsulfonyl)piperidine-3-carboxylate
[308831-94-9]
Ethyl 2-((2,6-difluorobenzyl)(ethoxycarbonyl)amino)-4-methyl-5-(4-nitrophenyl)thiophene-3-carboxylate
[937599-90-1]
Ethyl 2-((4-(thiophen-2-yl)pyrimidin-2-yl)thio)acetate
[4815-36-5]
Ethyl 2-amino-4-phenylthiophene-3-carboxylate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	96.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	399.64132
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	395.64542
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5