2-Bromochlorobenzene - analytical standard , CAS No.694-80-4

CAS: 694-80-4 Cat. No.: B111198 Formule: BrC₆H₄Cl Poids moléculaire: 191.45 Beilstein Registry Number: 1855303 Numéro CE: 211-775-1

GRADE & PURITY Analytical standard

Synonyms

1-Bromo-2-chlorobenzene|694-80-4|2-BROMOCHLOROBENZENE|2-Chlorobromobenzene|o-Bromochlorobenzene|Bromochlorobenzene|o-Chlorobromobenzene|Benzene, 1-bromo-2-chloro-|2-Bromo-1-chlorobenzene|Benzene, bromochloro-|1-Chloro-2-bromobenzene|28906-38-9|1-bromo-2-c

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonymes

1-Bromo-2-chlorobenzene | 694-80-4 | 2-BROMOCHLOROBENZENE | 2-Chlorobromobenzene | o-Bromochlorobenzene | Bromochlorobenzene | o-Chlorobromobenzene | Benzene, 1-bromo-2-chloro- | 2-Bromo-1-chlorobenzene | Benzene, bromochloro- | 1-Chloro-2-bromobenzene | 28906-38-9 | 1-bromo-2-c

Spécifications et pureté

analytical standard

Conditions de stockage de stockage

Protected from light,Room temperature

Expédié en

Normal

Grade

Étalon d'analyse

Noms et identifiants

• Pubchem Sid: 528757232
• Sourires canoniques: 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
• Isomères SMILES: C1=CC=C(C(=C1)Cl)Br
• WGK Allemagne: 3
• Poids moléculaire: 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
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Light sensitive.
• Indice de réfraction: 1.5805-1.5825
• Point d'éclair (°F): 195.8 °F
• Point d'éclair (°C): 91 °C
• Point d'ébullition (°C): 204°C
• Point de fusion (°C): -12.3°C
• Poids moléculaire: 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