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

CAS: 32778-09-9 Cat. No.: D1357986 Formule: C₃Cl₃F₅O Poids moléculaire: 253.38 Numéro CE: 642-152-6 PubChem CID: 2736854

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

Sourires canoniques

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

Isomères SMILES

C(C(F)(F)F)(OC(F)(F)Cl)(Cl)Cl

PubChem CID

2736854

Poids moléculaire

253.38

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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