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
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]
DBCO-PEG4-NHS ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate

Thiophenes

[13196-28-6]
2-Phenyl-1-(thiophen-2-yl)ethanone
[79485-96-4]
3-Bromo-2,4-dimethylthiophene
[74556-81-3]
5-[(3-Chlorophenoxy)methyl]thiophene-2-carboxylic acid
[113387-75-0]
Methyl 3-hydroxy-5-(1H-pyrazol-1-yl)thiophene-2-carboxylate
[179556-14-0]
Ethyl 5-(methylsulfonamido)-1H-indole-2-carboxylate
[610259-52-4]
Ethyl 1-(thiophen-2-ylsulfonyl)piperidine-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:	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