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2-Chlorobenzoic Acid-[d4]

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General Information
Catalog: BLP-010370
CAS: 1219795-28-4
Molecular Formula: C7HD4ClO2
Molecular Weight: 160.59

Chemical Structure

Description	The toxicity of halogenated benzoic acids was found to be directly related to the compound's hydrophobicity. Toxicity and quantitative structure-activity relationships of benzoic acids to Pseudokirchneriella subcapitata. This is the labelled analog.
Synonyms	o-Chlorobenzoic Acid-d4; 2-CBA-d4; NSC 15042-d4; NSC 32737-d4
IUPAC Name	2-chloro-3,4,5,6-tetradeuteriobenzoic acid
Related CAS	118-91-2 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])C(=O)O)Cl)[2H])[2H]
Canonical SMILES	C1=CC=C(C(=C1)C(=O)O)Cl
InChI	InChI=1S/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)/i1D,2D,3D,4D
InChI Key	IKCLCGXPQILATA-RHQRLBAQSA-N
Melting Point	140-143°C
Purity	98% atom D
Solubility	Soluble in DMSO, Methanol
Appearance	White Solid