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4-(2-Bromoacetyl)benzonitrile-[d4]

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General Information
Catalog: BLP-002799
CAS: 1794793-46-6
Molecular Formula: C9H2D4BrNO
Molecular Weight: 228.08

Chemical Structure

Synonyms	4-(2-Bromoacetyl)benzonitrile D4; 2-Bromo-1-(4-cyanophenyl)ethanone-d4; 2-Bromo-4'-cyanoacetophenone-d4; 2-Bromo-p-cyanoacetophenone-d4; 4-(2'-Bromoacetyl)benzonitrile-d4; 4-(Bromoacetyl)benzonitrile-d4; p-Cyanophenacyl-d4 Bromide; 4-Cyanophenacyl-d4 bromide; NSC 157569-d4; p-Cyano-α-bromoacetophenone-d4; α-Bromo-4-cyanoacetophenone-d4
IUPAC Name	4-(2-bromoacetyl)-2,3,5,6-tetradeuteriobenzonitrile
Related CAS	20099-89-2 (unlabelled)
Canonical SMILES	C1=CC(=CC=C1C#N)C(=O)CBr
InChI	InChI=1S/C9H6BrNO/c10-5-9(12)8-3-1-7(6-11)2-4-8/h1-4H,5H2/i1D,2D,3D,4D
InChI Key	LJANCPRIUMHGJE-RHQRLBAQSA-N
Melting Point	92-94 °C
Purity	98%; ≥ 99% atom D
Solubility	Slightly soluble in Chloroform, Methanol
Appearance	Light Brown Solid
Storage	-20 °C