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Monomethyl Phthalate-[d4]

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General Information
Catalog: BLP-004792
CAS: 1276197-40-0
Molecular Formula: C9H4D4O4
Molecular Weight: 184.18

Chemical Structure

Synonyms	Monomethyl Phthalate D4; 1,2-(Benzene-d4)dicarboxylic Acid 1-Methyl Ester; Phthalic Acid-d4 Methyl Ester; 2-(1-Methoxycarbonyl)benzoic Acid-d4; Methyl 2-Carboxybenzoate-d4; Methyl Hydrogen Phthalate-d4; Methyl Phthalate-d4; MMP-d4
IUPAC Name	2,3,4,5-tetradeuterio-6-methoxycarbonylbenzoic acid
Related CAS	4376-18-5 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])C(=O)O)C(=O)OC)[2H])[2H]
Canonical SMILES	COC(=O)C1=CC=CC=C1C(=O)O
InChI	InChI=1S/C9H8O4/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-5H,1H3,(H,10,11)/i2D,3D,4D,5D
InChI Key	FNJSWIPFHMKRAT-QFFDRWTDSA-N
Melting Point	84-86°C
Purity	≥98%; ≥98% atom D
Solubility	Slightly soluble in DMSO, Methanol
Appearance	White to Off-white Solid
Storage	Store at 2-8°C