4-chlorobenzonitrile-d4 - ≥98%,≥98atom%D , CAS No.1219794-82-7

CAS: 1219794-82-7 Cat. No.: C637479 Molecular Weight: 141.59

GRADE & PURITY ≥98%,≥98atom%D

Synonyms

4-chlorobenzonitrile-d4 | 1219794-82-7 | SCHEMBL12253366 | HY-41676S | 4-Chloro-2,3,5,6-tetradeuteriobenzonitrile | D99397

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Overview

4-Chlorobenzonitrile-d4 is the deuterium labeled 4-Chlorobenzonitrile

Specifications

Synonyms

4-chlorobenzonitrile-d4 | 1219794-82-7 | SCHEMBL12253366 | HY-41676S | 4-Chloro-2, 3, 5, 6-tetradeuteriobenzonitrile | D99397

Specifications & Purity

≥98%, ≥98atom%D

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

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

Purity

≥98%, ≥98atom%D

Names and Identifiers

• Canonical Smiles: C1=CC(=CC=C1C#N)Cl
• IUPAC Name: 4-chloro-2,3,5,6-tetradeuteriobenzonitrile
• InChIKey: GJNGXPDXRVXSEH-RHQRLBAQSA-N
• INCHI: 1S/C7H4ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H/i1D,2D,3D,4D
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1C#N)[2H])[2H])Cl)[2H]
• Alternate CAS: 623-03-0
• Molecular Weight: 141.59
• Reaxy-Rn: 1072122
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1072122&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzonitriles
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzonitriles
• Alternative Parents: Chlorobenzenes Aryl chlorides Nitriles Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzonitrile - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
• 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