1-Bromo-3-fluorobenzene - ≥99% , CAS No.1073-06-9

CAS: 1073-06-9 Cat. No.: B109686 Peso molecular: 175 Beilstein Registry Number: 1853969 Número EC: 214-023-0

GRADE & PURITY ≥99%

Synonyms

InChI=1/C6H4BrF/c7-5-2-1-3-6(8)4-5/h1-4 | 3-Bromfluorbenzen [Czech] | 3-fluoro-1-bromobenzene | Benzene, 1-bromo-3-fluoro- | AS-13586 | AC-9670 | EINECS 214-023-0 | AM61280 | 1-Fluoro-3-bromobenzene | 1-bromo -3-fluoro-benzene | 1-BROMO-3-FLUOROBENZENE |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

InChI=1/C6H4BrF/c7-5-2-1-3-6(8)4-5/h1-4 | 3-Bromfluorbenzen [Czech] | 3-fluoro-1-bromobenzene | Benzene, 1-bromo-3-fluoro- | AS-13586 | AC-9670 | EINECS 214-023-0 | AM61280 | 1-Fluoro-3-bromobenzene | 1-bromo -3-fluoro-benzene | 1-BROMO-3-FLUOROBENZENE |

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488181936
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181936
• Sonrisas canónicas: C1=CC(=CC(=C1)Br)F
• IUPAC Name: 1-bromo-3-fluorobenzene
• InChIKey: QDFKKJYEIFBEFC-UHFFFAOYSA-N
• INCHI: 1S/C6H4BrF/c7-5-2-1-3-6(8)4-5/h1-4H
• Isómeros SMILES: C1=CC(=CC(=C1)Br)F
• WGK Alemania: 2
• RTECS: DA1225000
• Número ONU: 1993
• Grupo de embalaje: I
• Peso molecular: 175
• Beilstein: 1853969
• Reaxy-Rn: 1853969
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1853969&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: Fluorobenzenes
• Alternative Parents: Bromobenzenes Aryl fluorides Aryl bromides Organofluorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Bromobenzene - Aryl halide - Aryl fluoride - Aryl bromide - Hydrocarbon derivative - Organofluoride - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
• 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

• Sensibilidad: Light sensitive.
• Índice de refracción: 1.526-1.528
• Punto de inflamación (°F): 114.8 °F
• Punto de inflamación (°C): 38℃
• Punto de ebullición (°C): 150°C
• Peso molecular: 175.000 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 173.948 Da
• Monoisotopic Mass: 173.948 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