4-Bromo-2-chlorotoluene - ≥98% , CAS No.89794-02-5

CAS: 89794-02-5 Cat. No.: B304851 Peso molecular: 205.49 Número EC: 629-393-2

GRADE & PURITY ≥98%

Synonyms

2-Chloro 4-bromo toluene | 4-bromo-2-chloro-1-methylbenzene | 4-bromo-2-chloro-1-methyl-benzene | AM20060371 | FT-0617761 | 4-Bromo-2-chlorotoluene, 98% | A843315 | SY016937 | AKOS005259080 | 4-Bromo-2-chloro toluene | SCHEMBL168931 | PS-8099 | 4-bromanyl

Storage

Room temperature

Shipped In

Normal

Descripción general

4-Bromo-2-chlorotoluene can be prepared from 4-bromo-2-nitrotoluene.

Specifications

Sinónimos

2-Chloro 4-bromo toluene | 4-bromo-2-chloro-1-methylbenzene | 4-bromo-2-chloro-1-methyl-benzene | AM20060371 | FT-0617761 | 4-Bromo-2-chlorotoluene, 98% | A843315 | SY016937 | AKOS005259080 | 4-Bromo-2-chloro toluene | SCHEMBL168931 | PS-8099 | 4-bromanyl

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488192729
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192729
• Sonrisas canónicas: CC1=C(C=C(C=C1)Br)Cl
• IUPAC Name: 4-bromo-2-chloro-1-methylbenzene
• InChIKey: LIFMTDJMLRECMX-UHFFFAOYSA-N
• INCHI: 1S/C7H6BrCl/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3
• Isómeros SMILES: CC1=C(C=C(C=C1)Br)Cl
• Peso molecular: 205.49
• Reaxy-Rn: 3234853
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3234853&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: Toluenes Bromobenzenes Aryl chlorides Aryl bromides Organochlorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Toluene - 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

Propiedades químicas y físicas

• Índice de refracción: 1.57
• Punto de ebullición (°C): 123°/24mm
• Peso molecular: 205.480 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 203.934 Da
• Monoisotopic Mass: 203.934 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 94.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1