5-Bromobenzofuran - CAS 23145-07-5

Catalog:	BB017948
Product Name:	5-Bromobenzofuran
CAS:	23145-07-5
Synonyms:	5-bromobenzofuran; 5-bromo-1-benzofuran

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	5-bromo-1-benzofuran
Description:	5-Bromobenzofuran (CAS# 23145-07-5) is used in the synthesis of 1-(7-benzofuranyl)-4-methylpiperazine; a compound shown to bind strongly and with high selectivity to the serotonin receptor 5-HT2A in the presence of the receptor 5-HT7 in vitro.
Molecular Weight:	197.03
Molecular Formula:	C8H5BrO
Canonical SMILES:	C1=CC2=C(C=CO2)C=C1Br
InChI:	InChI=1S/C8H5BrO/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5H
InChI Key:	AYOVPQORFBWFNO-UHFFFAOYSA-N
Boiling Point:	233.8 °C at 760 mmHg
Density:	1.608 g/cm³
Appearance:	Liquid
MDL:	MFCD03407317
LogP:	3.19530

Publication Number	Title	Priority Date
CN-112851608-A	Catalytic oxidation synthesis method of 2-diaryl methyl benzofuran compound	20210118
CN-111848930-A	Soluble polybenzfuran, preparation method thereof and application thereof in synthesizing 5-substituted benzofuran	20200730
CN-111848930-B	Soluble polybenzfuran, preparation method thereof and application thereof in synthesizing 5-substituted benzofuran	20200730
CN-111039910-A	Photoinitiated method for synthesizing 3-aryl flavone or coumarin compound and application thereof	20191231
CN-113122061-A	Quantum dot ink and preparation method of quantum dot film	20191230

PMID	Publication Date	Title	Journal
21893371	20111001	Synthesis and SAR optimization of diketo acid pharmacophore for HCV NS5B polymerase inhibition	European journal of medicinal chemistry

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Related Functional Groups

Benzofuran/Benzothiophene

[328270-02-6]
2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
[335671-77-7]
7-Bromo-2,3-dihydrobenzofuran-5-carboxylic acid
[438228-39-8]
Ethyl 2-amino-6-tert-butyl-1-benzothiophene-3-carboxylate
[96334-44-0]
Ethyl 2-amino-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
[7311-95-7]
Ethyl-2-amino-benzo(b)thiophene-3-carboxylate
[184174-82-1]
Isopropyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

GHS Hazard Statement:	H302 (93.02%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P330, P332+P313, P337+P313, P362, 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:	195.95238
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	195.95238
Rotatable Bond Count:	0
Topological Polar Surface Area:	13.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3