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4-Fluorobenzonitrile-[d4]

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General Information
Catalog: BLP-010561
CAS: 1080497-29-5
Molecular Formula: C7D4FN
Molecular Weight: 125.14

Chemical Structure

Description	4-Fluorobenzonitrile-[d4] is the labelled analogue of 4-Fluorobenzonitrile, which is used in the synthesis of flurenones, pharmaceutical prerequisites, as well as opioid receptor antagonists.
Synonyms	4-Fluorobenzonitrile D4; 4-Fluoro-benzonitrile-2,3,5,6-d4; p-Fluorobenzonitrile-d4; 1-Cyano-4-fluorobenzene-d4; 4-Cyanofluorobenzene-d4; 4-Fluorocyanobenzene-d4; NSC 88330-d4; Para-fluorobenzonitrile-d4; p-Cyanofluorobenzene-d4; p-Fluorophenyl Cyanide-d4
IUPAC Name	2,3,5,6-tetradeuterio-4-fluorobenzonitrile
Related CAS	1194-02-1 (unlabelled)
Canonical SMILES	C1=CC(=CC=C1C#N)F
InChI	InChI=1S/C7H4FN/c8-7-3-1-6(5-9)2-4-7/h1-4H/i1D,2D,3D,4D
InChI Key	AEKVBBNGWBBYLL-RHQRLBAQSA-N
Purity	98%; 98% atom D
Solubility	Soluble in DMSO
Appearance	Off-white Low-melting Solid
Storage	Store at 2-8°C