2-(Trimethylsilyloxy)-1,3-cyclohexadiene - ≥94%(GC) , CAS No.54781-19-0

CAS: 54781-19-0 Cat. No.: T161745 Molecular Weight: 168.31 Beilstein Registry Number: 2079140 EC Number: 627-751-2 PubChem CID: 4095656

GRADE & PURITY ≥94%(GC)

Synonyms

2-[(trimethylsilyl)oxy]-1,3-cyclohexadiene | 2-trimethylsiloxy-1,3-cyclohexadiene | Silane, (1,5-cyclohexadien-1-yloxy)trimethyl- | MFCD00274202 | Q63395632 | (cyclohexa-1,5-dien-1-yloxy)trimethylsilane | 2-trimethylsilyloxy-1,3-cyclohexadiene | cyclohexa

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

2-[(trimethylsilyl)oxy]-1, 3-cyclohexadiene | 2-trimethylsiloxy-1, 3-cyclohexadiene | Silane, (1, 5-cyclohexadien-1-yloxy)trimethyl- | MFCD00274202 | Q63395632 | (cyclohexa-1, 5-dien-1-yloxy)trimethylsilane | 2-trimethylsilyloxy-1, 3-cyclohexadiene | cyclohexa

Specifications & Purity

≥94%(GC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥94%(GC)

Names and Identifiers

• Canonical Smiles: C[Si](C)(C)OC1=CCCC=C1
• IUPAC Name: cyclohexa-1,5-dien-1-yloxy(trimethyl)silane
• InChIKey: WPIRVUXAMPRMAY-UHFFFAOYSA-N
• INCHI: 1S/C9H16OSi/c1-11(2,3)10-9-7-5-4-6-8-9/h5,7-8H,4,6H2,1-3H3
• Isomeric SMILES: C[Si](C)(C)OC1=CCCC=C1
• WGK Germany: 3
• PubChem CID: 4095656
• Molecular Weight: 168.31
• Beilstein: 2079140
• Reaxy-Rn: 2079140

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Organoheterosilanes
• Direct Parent: Trialkylheterosilanes
• Alternative Parents: Organic metalloid salts Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Trialkylheterosilane - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkylheterosilanes. These are organoheterosilanes, bearing a silicon atom linked to three alkyl groups and one heteroatom.
• 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,Heat Sensitive
• Refractive Index: 1.46
• Flash Point(°F): 116.6 °F
• Flash Point(°C): 47°C(lit.)
• Boil Point(°C): 60°C/9mmHg(lit.)
• Molecular Weight: 168.310 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 168.097 Da
• Monoisotopic Mass: 168.097 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 186.000
• 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

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