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Dimethyl phthalate-[d4]

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General Information
Catalog: BLP-000233
CAS: 93951-89-4
Molecular Formula: C10H6D4O4
Molecular Weight: 198.21

Chemical Structure

Synonyms	Dimethyl phthalate-3,4,5,6-d4; Phthalic Acid Dimethyl Ester D4
IUPAC Name	dimethyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
Related CAS	131-11-3 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])C(=O)OC)C(=O)OC)[2H])[2H]
Canonical SMILES	COC(=O)C1=CC=CC=C1C(=O)OC
InChI	InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3/i3D,4D,5D,6D
InChI Key	NIQCNGHVCWTJSM-LNFUJOGGSA-N
Boiling Point	282 °C (lit.)
Melting Point	2 °C (lit.)
Purity	99% (CP); 98% atom D
Density	1.214 g/mL at 25 °C
Solubility	Soluble in Chloroform, Methanol
Appearance	Colorless Oil
Storage	Store at RT, under inert atmosphere