Isopropyltrichlorosilane , CAS No.4170-46-1

CAS: 4170-46-1 Cat. No.: I1347490 Molecular Weight: 177.52 EC Number: 696-454-8 PubChem CID: 138140

Storage

Room temperature

Shipped In

Normal

Specifications

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: CC(C)[Si](Cl)(Cl)Cl
• IUPAC Name: trichloro(propan-2-yl)silane
• InChIKey: GPWLZOISJZHVHX-UHFFFAOYSA-N
• INCHI: 1S/C3H7Cl3Si/c1-3(2)7(4,5)6/h3H,1-2H3
• Isomeric SMILES: CC(C)[Si](Cl)(Cl)Cl
• PubChem CID: 138140
• Molecular Weight: 177.52

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds
        • Level5 Organoheterosilanes
          • Level6 Organochlorosilanes

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Organoheterosilanes
• Direct Parent: Organochlorosilanes
• Alternative Parents: Organic metalloid salts Alkylhalosilanes Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organochlorosilane - Organic metalloid salt - Alkylhalosilane - Hydrocarbon derivative - Organic salt - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organochlorosilanes. These are organosilicon compounds where the tetravalent silicon atom is linked to one or more chlorine 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

• Boil Point(°C): 123°
• Molecular Weight: 177.530 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 175.938 Da
• Monoisotopic Mass: 175.938 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 55.700
• 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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