2-Bromochlorobenzene-d4 , CAS No.1219795-51-3

CAS: 1219795-51-3 Cat. No.: B757454 Fórmula: C₆D₄BrCl Peso molecular: 195.48

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C(=C1)Cl)Br
• IUPAC Name: 1-bromo-2-chloro-3,4,5,6-tetradeuteriobenzene
• InChIKey: QBELEDRHMPMKHP-RHQRLBAQSA-N
• INCHI: 1S/C6H4BrCl/c7-5-3-1-2-4-6(5)8/h1-4H/i1D,2D,3D,4D
• Isómeros SMILES: [2H]C1=C(C(=C(C(=C1[2H])Cl)Br)[2H])[2H]
• Peso molecular: 195.48
• Reaxy-Rn: 1855303
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1855303&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Bromobenzenes Aryl chlorides Aryl bromides Organochlorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorobenzene - Bromobenzene - Aryl halide - Aryl chloride - Aryl bromide - Hydrocarbon derivative - Organochloride - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene 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

Preguntas frecuentes

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1219795-51-3, the molecular formula is C6D4BrCl, and the molecular weight is 195.48 g/mol. InChIKey QBELEDRHMPMKHP-RHQRLBAQSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.