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Acetophenone-[phenyl-d5]

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General Information
Catalog: BLP-011624
CAS: 28077-64-7
Molecular Formula: C8H3D5O
Molecular Weight: 125.18

Chemical Structure

Description	Acetophenone-[phenyl-d5] is the labelled analogue of Acetophenone, which is an intermediate in the synthesis of ibuprofen.
Synonyms	Acetophenone-(phenyl-d5); 1-(Phenyl-D5)-Ethanon; Acetophenone-2',3',4',5',6'-d5; Acetophenon-d5; Acetylbenzene-d5; Hypnone-d5; 1-Phenylethanone-d5; 1-Feniletanone-d5; 1-(Phenyl-d5)-1-ethanone; Methyl (Phenyl-d5) Ketone; NSC 7635-d5; NSC 98542-d5
IUPAC Name	1-(2,3,4,5,6-pentadeuteriophenyl)ethanone
Related CAS	98-86-2 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)C)[2H])[2H]
Canonical SMILES	CC(=O)C1=CC=CC=C1
InChI	InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3/i2D,3D,4D,5D,6D
InChI Key	KWOLFJPFCHCOCG-VIQYUKPQSA-N
Boiling Point	202°C
Melting Point	19-20°C
Purity	99% by CP; 99% atom D
Density	1.073 g/mL at 25°C
Solubility	Soluble in Chloroform, Ethyl Acetate
Appearance	Colorless Liquid
Storage	Store at 2-8°C