1-Bromopentafluoropropene , CAS No.53692-47-0

CAS: 53692-47-0 Cat. No.: B1002385 Formula: C₃BrF₅ Peso molecolare: 210.93 PubChem CID: 3790386

Storage

Room temperature

Specifiche

Condizioni di conservazione di stoccaggio

Room temperature

Nomi e identificatori

Sorrisi canonici

C(=C(F)Br)(C(F)(F)F)F

IUPAC Name

1-bromo-1,2,3,3,3-pentafluoroprop-1-ene

InChIKey

LNSBXPNZJPZBQZ-UHFFFAOYSA-N

INCHI

1S/C3BrF5/c4-2(6)1(5)3(7,8)9

Isomeri SMILES

C(=C(F)Br)(C(F)(F)F)F

PubChem CID

3790386

Peso molecolare

210.93

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Vinyl halides
• Subclass: Vinyl fluorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Vinyl fluorides
• Alternative Parents: Vinyl bromides Fluoroalkenes Bromoalkenes Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fluoroalkene - Bromoalkene - Haloalkene - Vinyl fluoride - Vinyl bromide - Hydrocarbon derivative - Organofluoride - Organobromide - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di ebollizione (°C): 27-28
• Peso molecolare: 210.930 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 209.91 Da
• Monoisotopic Mass: 209.91 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 134.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 1
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1