Dichloroisoflurane - ≥95% , CAS No.32778-09-9

CAS: 32778-09-9 Cat. No.: D1357986 Summenformel: C₃Cl₃F₅O Molekulargewicht: 253.38 EG-Nummer: 642-152-6 PubChem CID: 2736854

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: C(C(F)(F)F)(OC(F)(F)Cl)(Cl)Cl
• IUPAC Name: 1,1-dichloro-1-[chloro(difluoro)methoxy]-2,2,2-trifluoroethane
• InChIKey: QPYZGZHEKIQPIC-UHFFFAOYSA-N
• INCHI: 1S/C3Cl3F5O/c4-1(5,2(7,8)9)12-3(6,10)11
• Isomere SMILES: C(C(F)(F)F)(OC(F)(F)Cl)(Cl)Cl
• PubChem CID: 2736854
• Molekulargewicht: 253.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Klasse Alkyl halides
      • Subclass Halomethanes

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: Alkyl halides
• Subclass: Halomethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trihalomethanes
• Alternative Parents: Organooxygen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trihalomethane - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organochloride - Alkyl fluoride - Alkyl chloride - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as trihalomethanes. These are organic compounds in which exactly three of the four hydrogen atoms of methane (CH4) are replaced by halogen atoms.
• 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: 253.380 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 251.893 Da
• Monoisotopic Mass: 251.893 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 166.000
• 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