trans-4-Bromocinnamaldehyde - CAS 49678-04-8

Catalog:	BB026785
Product Name:	trans-4-Bromocinnamaldehyde
CAS:	49678-04-8
Synonyms:	(E)-3-(4-bromophenyl)prop-2-enal

Technical Data

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Computed Properties

IUPAC Name:	(E)-3-(4-bromophenyl)prop-2-enal
Description:	trans-4-Bromocinnamaldehyde (CAS# 49678-04-8) is a useful research chemical.
Molecular Weight:	211.06
Molecular Formula:	C9H7BrO
Canonical SMILES:	C1=CC(=CC=C1C=CC=O)Br
InChI:	InChI=1S/C9H7BrO/c10-9-5-3-8(4-6-9)2-1-7-11/h1-7H/b2-1+
InChI Key:	XYRAWLRFGKLUMW-OWOJBTEDSA-N
Boiling Point:	310.5 ℃ at 760 mmHg
Density:	1.466 g/cm³
Appearance:	White to tan crystal or powder
MDL:	MFCD03032509
LogP:	2.66120

Publication Number	Title	Priority Date
CN-112358445-A	N-acylhydrazone-ciprofloxacin heterozygote and preparation method and application thereof	20201010
US-2021171436-A1	Highly enantioselective access to cyclic beta-amino acids	20191204
WO-2021045879-A1	Synthesis of deuterated aldehydes	20190903
CN-109942553-B	Synthesis and conversion method of chiral 3,4, 6-trisubstituted tetrahydro 2H-pyran-2-one compound	20190417
WO-2020046670-A1	Corrosion inhibitor compositions and methods of use in acid stimulation operations	20180831

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Related Functional Groups

Carbonyl Compounds

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[87-88-7]
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[959574-98-2]
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GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
Signal Word:	Warning

Complexity:	146
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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5