1,3,5-tris(trimethylsilyl)benzene - ≥97% , CAS No.5624-60-2

CAS: 5624-60-2 Cat. No.: B300340 Molecular Weight: 294.66

GRADE & PURITY ≥97%

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C[Si](C)(C)C1=CC(=CC(=C1)[Si](C)(C)C)[Si](C)(C)C
• IUPAC Name: [3,5-bis(trimethylsilyl)phenyl]-trimethylsilane
• InChIKey: ALVFOQHWIKQDKY-UHFFFAOYSA-N
• INCHI: 1S/C15H30Si3/c1-16(2,3)13-10-14(17(4,5)6)12-15(11-13)18(7,8)9/h10-12H,1-9H3
• Isomeric SMILES: C[Si](C)(C)C1=CC(=CC(=C1)[Si](C)(C)C)[Si](C)(C)C
• Molecular Weight: 294.66
• Reaxy-Rn: 2940552
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2940552&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkylarylsilanes
• Alternative Parents: Benzene and substituted derivatives Organic metalloid salts Hydrocarbon derivatives Alkylsilanes
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkylarylsilane - Benzenoid - Monocyclic benzene moiety - Organic metalloid salt - Hydrocarbon derivative - Organic salt - Alkylsilane - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkylarylsilanes. These are organosilicon compounds with the general formula R[Si]R' (R = alkyl, R' = aryl).
• 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: 1.04
• Flash Point(°C): 65 °C
• Boil Point(°C): 244 °C
• Molecular Weight: 294.650 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 294.166 Da
• Monoisotopic Mass: 294.166 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 218.000
• 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