α-Bromocinnamaldehyde - CAS 5443-49-2

Catalog:	BB028655
Product Name:	α-Bromocinnamaldehyde
CAS:	5443-49-2
Synonyms:	(Z)-2-bromo-3-phenylprop-2-enal

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Computed Properties

IUPAC Name:	(Z)-2-bromo-3-phenylprop-2-enal
Description:	α-Bromocinnamaldehyde (CAS# 5443-49-2) is a useful research chemical.
Molecular Weight:	211.06
Molecular Formula:	C9H7BrO
Canonical SMILES:	C1=CC=C(C=C1)C=C(C=O)Br
InChI:	InChI=1S/C9H7BrO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-7H/b9-6-
InChI Key:	WQRWNOKNRHCLHV-TWGQIWQCSA-N
Boiling Point:	304.4 °C at 760 mmHg
Melting Point:	68-72°C
Flash Point:	110.2°C
Purity:	> 98.0 % (T)
Density:	1.499 g/cm³
Appearance:	Light yellow to ochre crystalline powder
MDL:	MFCD00006965
LogP:	2.62130
Refractive Index:	1.627

Publication Number	Title	Priority Date
CN-113025099-A	Graphene coating and preparation method thereof	20210423
CN-113150588-A	Water-based environment-friendly wood paint and preparation method thereof	20210422
CN-111466378-A	Synergist and insecticide and bactericide containing same	20200511
US-2021298295-A1	Compounds and compositions for nematode treatment	20200221
JP-2021126396-A	Toilet mat	20200214

PMID	Publication Date	Title	Journal
22709476	20120901	The comparison of α-bromo-4-chlorocinnamaldehyde and cinnamaldehyde on coxsackie virus B3-induced myocarditis and their mechanisms	International immunopharmacology
16901150	20060818	Guanidinium ylide mediated aziridination: identification of a spiro imidazolidine-oxazolidine intermediate	The Journal of organic chemistry

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Complexity:	157
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	209.96803
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	209.96803
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7