3-Bromobenzaldehyde - CAS 3132-99-8

Catalog:	BB020877
Product Name:	3-Bromobenzaldehyde
CAS:	3132-99-8
Synonyms:	3-bromobenzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	3-bromobenzaldehyde
Description:	3-Bromobenzaldehyde (CAS# 3132-99-8) is a substituted benzaldehyde, shown to have antibacterial activity against Mycobacterium tuberculosis. It is also a versatile building block, used in the synthesis of more complex pharmaceutical compounds.
Molecular Weight:	185.02
Molecular Formula:	C7H5BrO
Canonical SMILES:	C1=CC(=CC(=C1)Br)C=O
InChI:	InChI=1S/C7H5BrO/c8-7-3-1-2-6(4-7)5-9/h1-5H
InChI Key:	SUISZCALMBHJQX-UHFFFAOYSA-N
Boiling Point:	228-230 ℃
Purity:	97+ %
Density:	1.587 g/cm³
Appearance:	Clear colorless to yellow liquid after melting
MDL:	MFCD00003345
LogP:	2.26160

Publication Number	Title	Priority Date
CN-113416138-A	Henry type reaction method of iron mediated aldehyde and bromonitromethane and product	20210721
CN-113511990-A	N-protected (E) -2- (aminomethyl) -1, 3-diphenylprop-2-en-1-one derivatives and preparation thereof	20210630
CN-113480429-A	Synthetic method of alpha-fluoroacrylate	20210629
CN-113307806-A	Beta-carboline selective monoamine oxidase B inhibitor and pharmaceutical application thereof	20210522
CN-113185468-A	Method for synthesizing quinazolinone through photocatalysis	20210430

PMID	Publication Date	Title	Journal
22412548	20120301	{2-[(3-Bromo-benzyl-idene)amino]-5-chloro-phen-yl}(phen-yl)methanone	Acta crystallographica. Section E, Structure reports online
21589601	20101127	Ethyl 4-(3-bromo-phen-yl)-6-methyl-2-oxo-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate	Acta crystallographica. Section E, Structure reports online
20457464	20100801	Synthesis of stilbene-fused 2'-hydroxychalcones and flavanones	Bioorganic chemistry
21578740	20091107	3-(3-Bromo-phen-yl)-N-phenyl-oxirane-2-carboxamide	Acta crystallographica. Section E, Structure reports online
21578251	20091003	(E)-Ethyl 3-(3-bromo-phen-yl)-2-cyano-acrylate	Acta crystallographica. Section E, Structure reports online

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	103
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	183.95238
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	183.95238
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4