4-Bromothiophene-3-Carboxylic Acid - CAS 16694-17-0

Catalog:	BB012335
Product Name:	4-Bromothiophene-3-Carboxylic Acid
CAS:	16694-17-0
Synonyms:	4-Bromo-3-thenoic acid; 4-Bromo-3-thiophenecarboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-bromothiophene-3-carboxylic acid
Description:	4-Bromothiophene-3-Carboxylic Acid (CAS# 16694-17-0) is a useful research chemical.
Molecular Weight:	207.05
Molecular Formula:	C5H3BrO2S
Canonical SMILES:	C1=C(C(=CS1)Br)C(=O)O
InChI:	InChI=1S/C5H3BrO2S/c6-4-2-9-1-3(4)5(7)8/h1-2H,(H,7,8)
InChI Key:	APBIZVFQQBCAAT-UHFFFAOYSA-N
Boiling Point:	318.0±27.0 °C at 760 mmHg
Purity:	97.0 %
Density:	1.9±0.1 g/cm³
Appearance:	White to yellow and faint beige powder or crystals or chunks
MDL:	MFCD01233020
LogP:	2.20880

Publication Number	Title	Priority Date
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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
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid

Thiophenes

[113387-75-0]
Methyl 3-hydroxy-5-(1H-pyrazol-1-yl)thiophene-2-carboxylate
[851176-37-9]
2-Morpholino-2-(2-thienyl)ethylamine
[179556-14-0]
Ethyl 5-(methylsulfonamido)-1H-indole-2-carboxylate
[13669-10-8]
Ethyl (2-thenoyl)acetate
[610259-52-4]
Ethyl 1-(thiophen-2-ylsulfonyl)piperidine-3-carboxylate
[308831-93-8]
Ethyl 2-[(ethoxycarbonyl)amino]-4-methyl-5-(4-nitrophenyl)-3-thiophenecarboxylate

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, 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:	1.8