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CAS 358731-41-6

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1,2-Benzene-3,4,5,6-d4-dicarboxylicacid, diheptyl ester (9CI)

Description:
1,2-Benzene-3,4,5,6-d4-dicarboxylic acid, diheptyl ester (9CI), with CAS number 358731-41-6, is a synthetic organic compound characterized by its structure, which includes a benzene ring substituted with two carboxylic acid groups and two heptyl ester groups. The presence of deuterium (d4) indicates that four hydrogen atoms in the molecule are replaced with deuterium isotopes, which can influence the compound's physical and chemical properties, such as its mass and reactivity. This compound is likely to be a viscous liquid or solid at room temperature, exhibiting low volatility due to its large molecular size and ester functionalities. It may have applications in various fields, including materials science and organic synthesis, particularly in the development of polymers or as a plasticizer. The presence of multiple functional groups suggests potential for hydrogen bonding and interactions with other polar substances. Safety data should be consulted for handling and storage, as with any chemical substance.
Formula:C22H34O4
InChI:InChI=1S/C22H34O4/c1-3-5-7-9-13-17-25-21(23)19-15-11-12-16-20(19)22(24)26-18-14-10-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3/i11D,12D,15D,16D
InChI key:JQCXWCOOWVGKMT-SAQXESPHSA-N
SMILES:[2H]C1=C(C(=C(C(=C1[2H])C(=O)OCCCCCCC)C(=O)OCCCCCCC)[2H])[2H]
Synonyms:
  • Di-N-Heptyl Phthalate-3,4,5,6-D4
  • Di-heptyl Phthalate-3,4,5,6-D4
  • diheptyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
  • Di-n-heptyl phthalate-3,4,5,6-d4 in isooctane
  • Di-n-heptyl Phthalate--d4
  • Phthalic acid, bis-n-heptyl ester D4
  • Phthalic acid, bis-n-heptylester D4 (3,4,5,6 D4)
Found 3 products.