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4-(Bromomethyl)benzonitrile-[13C7,15N]

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General Information
Catalog: BLP-006538
Molecular Formula: C[13C]7H6Br[15N]
Molecular Weight: 203.99

Chemical Structure

Description	4-(Bromomethyl)benzonitrile-[13C7,15N] is the labelled analogue of 4-(Bromomethyl)benzonitrile, which is a benzyl halide as a postemergence herbicide.
Synonyms	[U-Ring-13C6,Cyano-13C,15N]-4-(Bromomethyl)benzonitrile; 4-Cyanobenzyl Bromide-13C7,15N; α-Bromo-p-tolylnitrile-13C7,15N; α-Bromo-p-tolunitrile-13C7,15N; p-(Bromomethyl)benzonitrile-13C7,15N
IUPAC Name	4-(bromomethyl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-(15N,13C)carbonitrile
Related CAS	17201-43-3 (unlabelled)
Canonical SMILES	C1=CC(=CC=C1CBr)C#N
InChI	InChI=1S/C8H6BrN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H2/i1+1,2+1,3+1,4+1,6+1,7+1,8+1,10+1
InChI Key	UMLFTCYAQPPZER-JCIULHISSA-N
Purity	≥98%; ≥99% atom 13C, ≥99% atom 15N
Solubility	Slightly soluble in Chloroform, Methanol
Appearance	Pale Brown Solid
Storage	Store at -20°C