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trans-4-Phenyl-3-buten-2-one-[1,1,1,3-d4]

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General Information
Catalog: BLP-010103
CAS: 130208-38-7
Molecular Formula: C10H6D4O
Molecular Weight: 150.21

Chemical Structure

Description	Trans-4-Phenyl-3-buten-2-one-[1,1,1,3-d4] is one of the labelled impurities of Warfarin, which is a kind of Coumarin anticoagulant.
Synonyms	benzalacetone-d4; benzylideneacetone-d4
IUPAC Name	(E)-1,1,1,3-tetradeuterio-4-phenylbut-3-en-2-one
Related CAS	122-57-6 (unlabelled)
Isomeric SMILES	[2H]/C(=C\C1=CC=CC=C1)/C(=O)C([2H])([2H])[2H]
Canonical SMILES	CC(=O)C=CC1=CC=CC=C1
InChI	InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+/i1D3,7D
InChI Key	BWHOZHOGCMHOBV-UGHRQIHESA-N
Boiling Point	260-262°C (lit.)
Melting Point	39-42°C (lit.)
Purity	97% atom D
Density	1.042g/cm3
Storage	Store at RT