2-Bromochlorobenzene - ≥99% , CAS No.694-80-4

CAS: 694-80-4 Cat. No.: B111197 Peso molecular: 191.45 Beilstein Registry Number: 1855303 Número EC: 211-775-1

GRADE & PURITY ≥99%

Synonyms

Bromochlorobenzene | 1-Bromo-2-chlorobenzene | 1-bromo-2-chloro-benzene | SCHEMBL251393 | MFCD00000532 | o-Chlorobromobenzene | A9191 | B0569 | 2-BROMOPHENYL CHLORIDE | AKOS005265527 | o-Bromochlorobenzene | 1-Bromo-2-chlorobenzene, analytical standard |

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Sinónimos

Bromochlorobenzene | 1-Bromo-2-chlorobenzene | 1-bromo-2-chloro-benzene | SCHEMBL251393 | MFCD00000532 | o-Chlorobromobenzene | A9191 | B0569 | 2-BROMOPHENYL CHLORIDE | AKOS005265527 | o-Bromochlorobenzene | 1-Bromo-2-chlorobenzene, analytical standard |

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488181730
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181730
• Sonrisas canónicas: C1=CC=C(C(=C1)Cl)Br
• IUPAC Name: 1-bromo-2-chlorobenzene
• InChIKey: QBELEDRHMPMKHP-UHFFFAOYSA-N
• INCHI: 1S/C6H4BrCl/c7-5-3-1-2-4-6(5)8/h1-4H
• Isómeros SMILES: C1=CC=C(C(=C1)Cl)Br
• WGK Alemania: 3
• Peso molecular: 191.45
• Beilstein: 1855303
• 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

Propiedades químicas y físicas

• Solubilidad: Immiscible with water.
• Sensibilidad: Light sensitive；Heat sensitive
• Índice de refracción: 1.5805-1.5825
• Punto de inflamación (°F): 195.8 °F
• Punto de inflamación (°C): 91 °C
• Punto de ebullición (°C): 204°C
• Punto de fusión (°C): -12.3°C
• Peso molecular: 191.450 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 189.918 Da
• Monoisotopic Mass: 189.918 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 74.900
• 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