Dicyclohexyl phthalate-3,4,5,6-D₄ - ≥98%,≥98 atom% D , CAS No.358731-25-6

CAS: 358731-25-6 Cat. No.: D1491975 Molecular Weight: 334.44 EC Number: 999-314-7

GRADE & PURITY ≥98%,≥98 atom% D

Synonyms

DCHP-[D4]

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Overview

Dicyclohexyl phthalate-3,4,5,6-d4 is a deuterated phthalate ester analog, wherein 3, 4, 5, and 6 protons of the aryl ring are replaced by deuterium.

Specifications

Synonyms

DCHP-[D4]

Specifications & Purity

≥98%, ≥98 atom% D

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%, ≥98 atom% D

Names and Identifiers

• Canonical Smiles: C1CCC(CC1)OC(=O)C2=CC=CC=C2C(=O)OC3CCCCC3
• IUPAC Name: dicyclohexyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
• InChIKey: VOWAEIGWURALJQ-ZZRPVTOQSA-N
• INCHI: 1S/C20H26O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2/i7D,8D,13D,14D
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])C(=O)OC2CCCCC2)C(=O)OC3CCCCC3)[2H])[2H]
• Alternate CAS: 84-61-7(unlabelled)
• Molecular Weight: 334.44

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Benzoyl derivatives Dicarboxylic acids and derivatives Carboxylic acid esters Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - Benzoyl - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Light sensitive；Moisture sensitive