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Acetophenone-[13C]

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General Information
Catalog: BLP-009173
CAS: 71777-36-1
Molecular Formula: C7[13C]H8O
Molecular Weight: 121.14

Chemical Structure

Description	Acetophenone-[Methyl-13C] is an intermediate in synthesizing Ibuprofen-[13C6], a labelled Ibuprofen. It is a selective cyclooxygenase inhibitor (IC50=14.9uM).
Synonyms	1-Phenylethanone-13C; 1-Feniletanone-13C; 1-(Phenyl)-1-ethanone-13C; 1-(Phenyl)ethanone-13C; Acetylbenzene-13C; Hypnon-13C; Hypnone-13C; Methyl (Phenyl) Ketone-13C; NSC 7635-13C; NSC 98542-13C; (Phenyl) Methyl Ketone-13C
IUPAC Name	1-phenyl(2-13C)ethanone
Related CAS	98-86-2 (unlabelled)
Isomeric SMILES	[13CH3]C(=O)C1=CC=CC=C1
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/i1+1
InChI Key	KWOLFJPFCHCOCG-OUBTZVSYSA-N
Boiling Point	202°C (lit.)
Melting Point	19-20°C(lit.)
Purity	≥98%, ≥95%e.e.
Density	1.038 g/cm3
Solubility	Soluble in Chloroform, Ethyl Acetate (Slightly)
Appearance	Clear Yellow Oil
Storage	Store at -20°C