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Benzoic acid-[2,3,4,5,6-d5]

General Information
Catalog: BLP-011627
CAS: 1079-02-3
Molecular Formula: C7HD5O2
Molecular Weight: 127.15
Chemical Structure
Benzoic acid-[2,3,4,5,6-d5]
Synonyms Benzenecarboxylic Acid-d5; Benzeneformic Acid-d5; Benzenemethanoic Acid-d5; Carboxybenzene-d5; Dracylic Acid-d5; E 210-d5; HA 1; MENNO-Florades-d5; NSC 149-d5; Phenylcarboxylic Acid-d5; Phenylformic Acid-d5; Purox B-d5; Retarder BA-d5; Retardex-d5; Salvo Liquid-d5; Solvo Powder-d5; Tenn-Plas-d5; VevoVitall-d5
IUPAC Name 2,3,4,5,6-pentadeuteriobenzoic acid
Related CAS 65-85-0 (unlabelled)
Isomeric SMILES [2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)O)[2H])[2H]
Canonical SMILES C1=CC=C(C=C1)C(=O)O
InChI InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/i1D,2D,3D,4D,5D
InChI Key WPYMKLBDIGXBTP-RALIUCGRSA-N
Boiling Point 249°C
Melting Point 121-125°C
Purity 95% by HPLC; 98% atom D
Solubility Soluble in Acetonitrile (Slightly), Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
Appearance White to Off-white Solid
Storage Store at 2-8°C

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