Trichlorofluoroethylene , CAS No.359-29-5

CAS: 359-29-5 Cat. No.: T1065952 Formule: C₂Cl₃F Poids moléculaire: 149.38 PubChem CID: 71084

Storage

Room temperature

Specifications

Conditions de stockage de stockage

Room temperature

Noms et identifiants

Sourires canoniques

C(=C(Cl)Cl)(F)Cl

IUPAC Name

1,1,2-trichloro-2-fluoroethene

InChIKey

LFMIQNJMJJKICW-UHFFFAOYSA-N

INCHI

1S/C2Cl3F/c3-1(4)2(5)6

Isomères SMILES

C(=C(Cl)Cl)(F)Cl

PubChem CID

71084

Poids moléculaire

149.38

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 chlorides Fluoroalkenes Chlorofluorocarbons Chloroalkenes Organofluorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Chlorofluorocarbon - Fluoroalkene - Chloroalkene - Haloalkene - Vinyl fluoride - Vinyl chloride - Hydrocarbon derivative - Organofluoride - Organochloride - Aliphatic acyclic compound
• Description: 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: a small molecule

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

• Point de fusion (°C): -108.9
• Poids moléculaire: 149.370 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 147.905 Da
• Monoisotopic Mass: 147.905 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