1H,1H,2H,2H-Perfluorododecyltrichlorosilane - ≥97% , CAS No.102488-49-3

CAS: 102488-49-3 Cat. No.: H357451 Molecular Weight: 681.57 EC Number: 662-991-1

GRADE & PURITY ≥97%

Synonyms

ZFUVZJADECZZMS-UHFFFAOYSA-N | J-000698 | HENEICOSAFLUORODODECYLTRICHLOROSILANE | DTXSID40382352 | 1H,1H,2H,2H-Perfluorododecyltrichlorosilane, 97% | 1H,1H,2H,2H-Perfluorododecyltrichlorosilane | SCHEMBL892529 | AKOS015911226 | Silane, trichloro(3,3,4,4,5,

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

ZFUVZJADECZZMS-UHFFFAOYSA-N | J-000698 | HENEICOSAFLUORODODECYLTRICHLOROSILANE | DTXSID40382352 | 1H, 1H, 2H, 2H-Perfluorododecyltrichlorosilane, 97% | 1H, 1H, 2H, 2H-Perfluorododecyltrichlorosilane | SCHEMBL892529 | AKOS015911226 | Silane, trichloro(3, 3, 4, 4, 5,

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504762099
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762099
• Canonical Smiles: C(C[Si](Cl)(Cl)Cl)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• IUPAC Name: trichloro(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)silane
• InChIKey: ZFUVZJADECZZMS-UHFFFAOYSA-N
• INCHI: 1S/C12H4Cl3F21Si/c13-37(14,15)2-1-3(16,17)4(18,19)5(20,21)6(22,23)7(24,25)8(26,27)9(28,29)10(30,31)11(32,33)12(34,35)36/h1-2H2
• Isomeric SMILES: C(C[Si](Cl)(Cl)Cl)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• WGK Germany: 3
• Molecular Weight: 681.57
• Reaxy-Rn: 6357983
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6357983&ln=

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 Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organochlorosilane - Organic metalloid salt - Alkylhalosilane - Hydrocarbon derivative - Organic salt - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - 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

• Sensitivity: Moisture sensitive
• Refractive Index: n20D1.33 (Predicted)
• Boil Point(°C): 113-114° C at 4 mmHg
• Melt Point(°C): 47-48° C
• Molecular Weight: 681.600 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 10
• Exact Mass: 679.881 Da
• Monoisotopic Mass: 679.881 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 826.000
• 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

XLogP3