CAS 1219803-08-3

4-(Methoxy-d₃)benzoic-2,3,5,6-d₄ acid

Description:

4-(Methoxy-d3)benzoic-2,3,5,6-d4 acid is a deuterated derivative of benzoic acid, characterized by the presence of deuterium isotopes at specific positions on the benzene ring and a methoxy group. The incorporation of deuterium enhances the compound's utility in various analytical techniques, particularly in nuclear magnetic resonance (NMR) spectroscopy, where it can provide insights into molecular dynamics and interactions. The methoxy group contributes to the compound's solubility and reactivity, influencing its behavior in chemical reactions and biological systems. As a benzoic acid derivative, it exhibits typical acid characteristics, including the ability to donate protons in solution, which can affect its pKa and overall acidity. The presence of deuterium also alters the vibrational frequencies of the molecule, making it useful in studies involving isotopic labeling. Overall, this compound serves as a valuable tool in research, particularly in fields such as medicinal chemistry and pharmacokinetics, where understanding the behavior of isotopically labeled compounds is crucial.

Formula: C₈HD₇O₃

InChI: InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)/i1D3,2D,3D,4D,5D

InChI key: InChIKey=ZEYHEAKUIGZSGI-AAYPNNLASA-N

SMILES: C(O)(=O)C1=C(C(=C(OC([2H])([2H])[2H])C(=C1[2H])[2H])[2H])[2H]

Synonyms:

• Benzoic-2,3,5,6-d4 acid, 4-(methoxy-d3)-
• 4-(Methoxy-d3)benzoic-2,3,5,6-d4 acid

4-Methoxybenzoic-d7 Acid

CAS: 1219803-08-3

Formula: CD₃OC₆D₄COOH

Purity: 98 atom % D

Color and Shape: White Solid

Molecular weight: 159.09128

Ref: 3U-D6607

4-Methoxybenzoic-d7 Acid

Controlled Product

CAS: 1219803-08-3

Applications 4-Methoxybenzoic-d7 Acid (CAS# 1219803-08-3) is a useful isotopically labeled research compound.

Formula: C₈HD₇O₃

Color and Shape: Neat

Molecular weight: 159.19

Ref: TR-A673304