2-Acetyl-5-bromothiophene - CAS 5370-25-2

Catalog:	BB028332
Product Name:	2-Acetyl-5-bromothiophene
CAS:	5370-25-2
Synonyms:	1-(5-bromothiophen-2-yl)ethanone

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1-(5-bromothiophen-2-yl)ethanone
Description:	2-Acetyl-5-bromothiophene (CAS# 5370-25-2) is a useful research chemical.
Molecular Weight:	205.07
Molecular Formula:	C6H5BrOS
Canonical SMILES:	CC(=O)C1=CC=C(S1)Br
InChI:	InChI=1S/C6H5BrOS/c1-4(8)5-2-3-6(7)9-5/h2-3H,1H3
InChI Key:	IGBZCOWXSCWSHO-UHFFFAOYSA-N
Boiling Point:	103 °C (4 mmHg)
Melting Point:	93-96 °C
Purity:	98 %
Density:	1.619 g/cm³
Appearance:	White to light yellow crystal powder
MDL:	MFCD00014528
LogP:	2.71320

Publication Number	Title	Priority Date
CN-113429416-A	Synthesis method of dihydrofuropyrrolone derivative with spirotricyclic framework	20210630
CN-113185531-A	Preparation method of photoinitiator for release film	20210317
CN-113201295-A	Release film with high residual adhesion rate and preparation method thereof	20210317
CN-113354585-A	Synthesis of novel EP4 antagonists and their use in cancer and inflammation	20200304
WO-2021175283-A1	Synthesis of novel ep4 antagonist and use in cancers and inflammations	20200304

PMID	Publication Date	Title	Journal
22259562	20120101	(2E)-1-(5-Bromo-thio-phen-2-yl)-3-(2,3,4-trimeth-oxy-phen-yl)prop-2-en-1-one	Acta crystallographica. Section E, Structure reports online
22199948	20111201	(E)-1-(5-Bromo-thio-phen-2-yl)-3-(3,4,5-trimeth-oxy-phen-yl)prop-2-en-1-one	Acta crystallographica. Section E, Structure reports online
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
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

[87-88-7]
Chloranilic acid
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic 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

[74556-81-3]
5-[(3-Chlorophenoxy)methyl]thiophene-2-carboxylic acid
[851176-37-9]
2-Morpholino-2-(2-thienyl)ethylamine
[63273-26-7]
5-(Bromomethyl)-2-thiophenecarboxylic Acid
[308831-93-8]
Ethyl 2-[(ethoxycarbonyl)amino]-4-methyl-5-(4-nitrophenyl)-3-thiophenecarboxylate
[350990-31-7]
Ethyl 2-amino-4-(2,5-dimethylphenyl)-5-methylthiophene-3-carboxylate
[325724-66-1]
Ethyl 2-amino-4-(2-chlorophenyl)thiophene-3-carboxylate

GHS Hazard Statement:	H302 (85.71%): 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, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.92445
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	203.92445
Rotatable Bond Count:	1
Topological Polar Surface Area:	45.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6