Bromotrifluoroethylene , CAS No.598-73-2

CAS: 598-73-2 Cat. No.: B1361086 Summenformel: C₂BrF₃ Molekulargewicht: 160.92 EG-Nummer: 209-948-1 PubChem CID: 11730

Storage

Room temperature

Shipped In

Normal

Specifications

Storage

Room temperature

Verschickt in

Normal

Namen und Kennungen

• Kanonisches Lächeln: C(=C(F)Br)(F)F
• IUPAC Name: 1-bromo-1,2,2-trifluoroethene
• InChIKey: AYCANDRGVPTASA-UHFFFAOYSA-N
• INCHI: 1S/C2BrF3/c3-1(4)2(5)6
• Isomere SMILES: C(=C(F)Br)(F)F
• PubChem CID: 11730
• UN-Nummer: 2419
• Molekulargewicht: 160.92

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Klasse Vinyl halides
      • Subclass Vinyl fluorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: Vinyl halides
• Subclass: Vinyl fluorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Vinyl fluorides
• Alternative Parents: Vinyl bromides Fluoroalkenes Bromoalkenes Organofluorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fluoroalkene - Bromoalkene - Haloalkene - Vinyl fluoride - Vinyl bromide - Hydrocarbon derivative - Organofluoride - Organobromide - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as vinyl fluorides. These are vinyl halides in which a fluorine atom is bonded to an sp2-hybridised carbon atom.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 160.920 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 159.914 Da
• Monoisotopic Mass: 159.914 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 72.900
• 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