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4-Bromobenzonitrile-[d4]

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General Information
Catalog: BLP-010530
CAS: 771534-56-6
Molecular Formula: C7D4BrN
Molecular Weight: 186.04

Chemical Structure

Synonyms	4-Bromobenzonitrile D4; 4-Cyanobromobenzene-2,3,5,6-d4; p-Bromobenzonitrile-d4; 1-Bromo-4-benzonitrile-d4; 1-Bromo-4-cyanobenzene-d4; 1-Cyano-4-bromobenzene-d4; 4-Bromocyanobenzene-d4; 4-Cyano-1-bromobenzene-d4; NSC 3978-d4; p-Bromocyanobenzene-d4; p-Cyanobromobenzene-d4
IUPAC Name	4-bromo-2,3,5,6-tetradeuteriobenzonitrile
Related CAS	623-00-7 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1C#N)[2H])[2H])Br)[2H]
Canonical SMILES	C1=CC(=CC=C1C#N)Br
InChI	InChI=1S/C7H4BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H/i1D,2D,3D,4D
InChI Key	HQSCPPCMBMFJJN-RHQRLBAQSA-N
Boiling Point	235-237°C
Melting Point	110-115°C
Purity	≥95%; 99% atom D
Solubility	Slightly soluble in Chloroform, Methanol
Appearance	White Solid
Storage	Store at 2-8°C under inert atmosphere