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Diethyl phthalate-[d4]

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General Information
Catalog: BLP-000219
CAS: 93952-12-6
Molecular Formula: C12H10D4O4
Molecular Weight: 226.26

Chemical Structure

Synonyms	Diethyl phthalate-3,4,5,6-d4; d4-diethyl phthalate; Diethyl (D4)benzene-1,2-dicarboxylate
IUPAC Name	diethyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
Related CAS	84-66-2 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])C(=O)OCC)C(=O)OCC)[2H])[2H]
Canonical SMILES	CCOC(=O)C1=CC=CC=C1C(=O)OCC
InChI	InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3/i5D,6D,7D,8D
InChI Key	FLKPEMZONWLCSK-KDWZCNHSSA-N
Boiling Point	298-299 °C (lit.)
Melting Point	−3 °C (lit.)
Purity	98% atom D
Density	1.158 g/mL at 25 °C
Appearance	Liquid