1,3-Diisopropylbenzene-d , CAS No.1398065-59-2

CAS: 1398065-59-2 Cat. No.: D1446223 Molecular Weight: 162.27 PubChem CID: 7450

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

1,3-Diisopropylbenzene-d 18 is the deuterium labeled 1,3-Diisopropylbenzene.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Names and Identifiers

• Canonical Smiles: CC(C)C1=CC(=CC=C1)C(C)C
• IUPAC Name: 1,3-di(propan-2-yl)benzene
• InChIKey: UNEATYXSUBPPKP-UHFFFAOYSA-N
• INCHI: 1S/C12H18/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-10H,1-4H3
• Isomeric SMILES: CC(C)C1=CC(=CC=C1)C(C)C
• PubChem CID: 7450
• Molecular Weight: 162.27

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Cumenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Cumenes
• Alternative Parents: Phenylpropanes Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - Cumene - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
• 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