CAS 1079-02-3: Benzoic-2,3,4,5,6-d5 acid
Description:Benzoic-2,3,4,5,6-d5 acid, also known as deuterated benzoic acid, is a deuterated form of benzoic acid where five hydrogen atoms are replaced by deuterium, a stable isotope of hydrogen. This substitution alters the physical and chemical properties of the compound, making it useful in various applications, particularly in NMR spectroscopy, where the presence of deuterium helps in distinguishing signals and improving resolution. The compound retains the characteristic carboxylic acid functional group (-COOH), which contributes to its acidity and solubility in polar solvents. Benzoic-2,3,4,5,6-d5 acid is typically a white crystalline solid at room temperature and exhibits similar reactivity to non-deuterated benzoic acid, participating in typical acid-base reactions and forming salts with bases. Its unique isotopic composition allows for studies in reaction mechanisms and kinetics, as well as in tracing pathways in metabolic studies. The CAS number 1079-02-3 uniquely identifies this compound in chemical databases, facilitating its use in research and industrial applications.
Formula:C7HD5O2
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:InChIKey=WPYMKLBDIGXBTP-RALIUCGRSA-N
SMILES:O=C(O)C=1C=CC=CC1
- Synonyms:
- Benzoic-2,3,4,5,6-d5 acid
- 2,3,4,5,6-Pentadeuteriobenzoic acid
- Benzoic-d5 acid
- Benzoic acid-d5
- Pentadeuteriobenzoic acid
