5-Bromo-2-thiophenecarboxylic acid - CAS 7311-63-9

Catalog:	BB034778
Product Name:	5-Bromo-2-thiophenecarboxylic acid
CAS:	7311-63-9
Synonyms:	5-bromothiophene-2-carboxylic acid

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	5-bromothiophene-2-carboxylic acid
Description:	A thiophene derivative with genotoxicity activity.
Molecular Weight:	207.05
Molecular Formula:	C5H3BrO2S
Canonical SMILES:	C1=C(SC(=C1)Br)C(=O)O
InChI:	InChI=1S/C5H3BrO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)
InChI Key:	COWZPSUDTMGBAT-UHFFFAOYSA-N
Boiling Point:	318.9 °C at 760 mmHg
Melting Point:	140-142 °C
Purity:	95 %
Density:	1.923 g/cm³
Appearance:	White powder
MDL:	MFCD00079725
LogP:	2.20880

Publication Number	Title	Priority Date
CN-112480094-A	Thiophene 2, 5-disubstituted-tetrahydroisoquinoline compounds, and preparation and application thereof	20201209
CN-112341607-A	Degradable copolymer and preparation method and application thereof	20201013
CN-111138474-A	Tricyclohexyltin 2-bromothiophene-5-formate complex and preparation method and application thereof	20191226
WO-2021007350-A1	Bcat modulation	20190709
WO-2021002473-A1	Nrf2-activating compound	20190703

PMID	Publication Date	Title	Journal
18163595	20080301	Ionic immobilization, diversification, and release: application to the generation of a library of methionine aminopeptidase inhibitors	Journal of combinatorial chemistry
15962942	20050601	Prediction of genotoxicity of chemical compounds by statistical learning methods	Chemical research in toxicology

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

Thiophenes

[79485-96-4]
3-Bromo-2,4-dimethylthiophene
[38401-73-9]
5-(3-Nitrophenyl)-2-thiophenecarbaldehyde
[937599-90-1]
Ethyl 2-((4-(thiophen-2-yl)pyrimidin-2-yl)thio)acetate
[308831-93-8]
Ethyl 2-[(ethoxycarbonyl)amino]-4-methyl-5-(4-nitrophenyl)-3-thiophenecarboxylate
[306934-99-6]
Ethyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate
[261626-93-1]
Ethyl 3-(2-thienyl)-1,2,4-oxadiazole-5-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:	128
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	205.90371
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	205.90371
Rotatable Bond Count:	1
Topological Polar Surface Area:	65.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5