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Dibenzyl phthalate-[d4]

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General Information
Catalog: BLP-012957
CAS: 1015854-62-2
Molecular Formula: C22H14D4O4
Molecular Weight: 350.40

Chemical Structure

Synonyms	Dibenzyl phthalate-D4; 1,2-Benzenedicarboxylic Acid, 1,2-Bis(phenylmethyl) Ester-d4; 1,2-Benzenedicarboxylic Acid, Bis(phenylmethyl) Ester-d4; Phthalic Acid, Dibenzyl Ester-d4; Benzyl Phthalate-d4; NSC 4057-d4
IUPAC Name	dibenzyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
Related CAS	523-31-9 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)[2H])[2H]
Canonical SMILES	C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2C(=O)OCC3=CC=CC=C3
InChI	InChI=1S/C22H18O4/c23-21(25-15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)22(24)26-16-18-11-5-2-6-12-18/h1-14H,15-16H2/i7D,8D,13D,14D
InChI Key	UCVPKAZCQPRWAY-ZZRPVTOQSA-N
Melting Point	40-42°C
Purity	95% by HPLC; 98% atom D
Solubility	Soluble in Chloroform (Slightly), Ethyl Acetate (Slightly)
Storage	Store at 2-8°C