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4-Nitrobenzoic Acid-[d4]

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General Information
Catalog: BLP-010616
CAS: 171777-66-5
Molecular Formula: C7HD4NO4
Molecular Weight: 171.14

Chemical Structure

Description	4-Nitrobenzoic Acid-[d4] is the labelled analogue of 4-Nitrobenzoic Acid, which is used in the synthesis of anti-Trypanosoma cruzi agents in the treatment of chagas disease.
Synonyms	4-Nitrobenzoic Acid D4; p-Nitrobenzoic Acid-d4; NSC 7707-d4; Nitrodracylic Acid-d4; p-Carboxynitrobenzene-d4; p-Nitrobenzenecarboxylic Acid-d4; p-Nitrobenzoic Acid-d4
IUPAC Name	2,3,5,6-tetradeuterio-4-nitrobenzoic acid
Related CAS	62-23-7 (unlabelled)
Canonical SMILES	C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]
InChI	InChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)/i1D,2D,3D,4D
InChI Key	OTLNPYWUJOZPPA-RHQRLBAQSA-N
Melting Point	238-240°C
Purity	≥95%; 98% atom D
Solubility	Slightly soluble in DMSO, Methanol (Heated)
Appearance	Pale Yellow to Pale Green Solid
Storage	Store at 2-8°C