CAS 78399-78-7

Benzoic-2,3,4,6-d4acid, 5-nitro- (9CI)

Description:

Benzoic-2,3,4,6-d4 acid, 5-nitro- (9CI) is a deuterated derivative of benzoic acid, where the hydrogen atoms at positions 2, 3, 4, and 6 of the benzene ring are replaced with deuterium isotopes. This modification enhances its utility in various analytical techniques, particularly in nuclear magnetic resonance (NMR) spectroscopy, where deuteration reduces background signals and improves resolution. The presence of a nitro group at the 5-position introduces significant electron-withdrawing characteristics, influencing the compound's reactivity and solubility. As a carboxylic acid, it exhibits typical acidic properties, including the ability to donate protons in solution. The compound is likely to be soluble in organic solvents and may have limited solubility in water due to the hydrophobic nature of the aromatic ring. Its applications may extend to research in organic synthesis, pharmaceuticals, and as a tracer in metabolic studies. Safety data should be consulted for handling, as nitro compounds can be hazardous.

Formula: C₇HD₄NO₄

Synonyms:

• 3-Nitrobenzoic-D4 Acid

3-Nitrobenzoic-d4 Acid

CAS: 78399-78-7

Formula: O₂NC₆D₄COOH

Purity: 98 atom % D

Color and Shape: Pale Yellow Solid

Molecular weight: 171.04696

Ref: 3U-D6440

m-Nitrobenzoic-d4 Acid

Controlled Product

CAS: 78399-78-7

Applications 3-Nitrotoluene metabolite. A chemoattractants against Pseudomonas strains.
References Meyer, D. et al.: App. Environ. Microbiol., 71, 6624 (2005); Parales, R.: App. Environ. Microbiol., 70, 285 (2004); Chism, J. et al.: Drug. Metab. Dispos., 12, 596 (1984); DeBethizy, J. & Rickert, D.: Drug. Metab. Dispos., 21, 45 (1984)

Formula: C₇D₄HNO₄

Color and Shape: Neat

Molecular weight: 171.14

Ref: TR-N494702