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4-Chlorobenzoic Acid-[d4]

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General Information
Catalog: BLP-011752
CAS: 85577-25-9
Molecular Formula: C7HD4ClO2
Molecular Weight: 160.59

Chemical Structure

Description	4-Chlorobenzoic Acid-[d4] is the labelled analogue of 4-Chlorobenzoic Acid, which is used as a preservative.
Synonyms	4-Chlorobenzoic Acid D4; p-Chlorobenzoic Acid-d4; 4-CBA-d4; Mycosid-d4; NSC 143358-d4; NSC 32738-d4; NSC 8444-d4; p-Carboxychlorobenzene-d4; p-Chlorbenzoic-d4 Acid
IUPAC Name	4-chloro-2,3,5,6-tetradeuteriobenzoic acid
Related CAS	74-11-3 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1C(=O)O)[2H])[2H])Cl)[2H]
Canonical SMILES	C1=CC(=CC=C1C(=O)O)Cl
InChI	InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)/i1D,2D,3D,4D
InChI Key	XRHGYUZYPHTUJZ-RHQRLBAQSA-N
Melting Point	242-244°C
Purity	95% by HPLC; 98% atom D
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly, Heated)
Appearance	White to Off-white Solid
Storage	Store at 2-8°C