Phthalic Anhydride (Phenyl-13C6, D4)

• CAT Number: R024731
• CAS Number: NA
• Molecular Formula: C₂¹³C₆D₄O₃
• Molecular Weight: 158.1
• Purity: ≥95%
• Synonyms: 1,3-Isobenzofurandione (Phenyl-13C6, D4); 1,2-Benzenedicarboxylic anhydride (Phenyl-13C6, D4); 1,3-Phthalandione (Phenyl-13C6, D4); 2-Benzofuran-1,3-dione (Phenyl-13C6, D4); Araldite HT 901(Phenyl-13C6, D4); ESEN (Phenyl-13C6, D4); HT 901 (Phenyl-13C
• Storage: Store at -20°C
• IUPAC Name: 4,5,6,7-tetradeuterio-2-benzofuran-1,3-dione
• InChI: InChI=1S/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H/i1+1D,2+1D,3+1D,4+1D,5+1,6+1
• InChIKey: LGRFSURHDFAFJT-QTGXHTELSA-N
• SMILES: [2H][13C]1=[13C]([13C](=[13C]2C(=O)OC(=O)[13C]2=[13C]1[2H])[2H])[2H]

Phthalic Anhydride (Phenyl-¹³C₆, D₄) is a deuterated and carbon-13 labeled version of phthalic anhydride, a key compound used in the production of plasticizers, resins, and dyes. The six carbon-13 isotopes are incorporated into the phenyl group, and the four deuterium atoms replace hydrogen atoms in the molecule. This isotopic labeling enhances the precision in studies involving NMR spectroscopy and mass spectrometry, allowing for accurate tracking of chemical reactions and pathways. Its applications are significant in organic synthesis, materials science, and analytical chemistry for understanding reaction mechanisms and optimizing chemical processes.