[Chloro(difluoro)methyl](trimethyl)silane - ≥97% , CAS No.115262-00-5

CAS: 115262-00-5 Cat. No.: S691762 Molecular Weight: 158.65 PubChem CID: 10877400

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Specifications & Purity

≥97%

Storage

Room temperature

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C[Si](C)(C)C(F)(F)Cl
• IUPAC Name: [chloro(difluoro)methyl]-trimethylsilane
• InChIKey: DGLFKUGPLIRHCC-UHFFFAOYSA-N
• INCHI: 1S/C4H9ClF2Si/c1-8(2,3)4(5,6)7/h1-3H3
• Isomeric SMILES: C[Si](C)(C)C(F)(F)Cl
• PubChem CID: 10877400
• Molecular Weight: 158.65

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Alkyl halides
• Subclass: Halomethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trihalomethanes
• Alternative Parents: Organic metalloid salts Organofluorides Organochlorides Hydrocarbon derivatives Alkylsilanes Alkyl fluorides Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trihalomethane - Organic metalloid salt - Hydrocarbon derivative - Organosilicon compound - Alkylsilane - Organofluoride - Organochloride - Organic metalloid moeity - 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

Chemical and Physical Properties

• Molecular Weight: 158.650 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 158.013 Da
• Monoisotopic Mass: 158.013 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 86.500
• 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

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