Trimethoxyphenylsilane - ≥95% , CAS No.2996-92-1

CAS: 2996-92-1 Cat. No.: T118549 Molecular Weight: 198.29 Beilstein Registry Number: 2937896 EC Number: 221-066-9 PubChem CID: 18137

GRADE & PURITY ≥95%

Synonyms

21TQE746S9 | DTXSID5040700 | EINECS 221-066-9 | NCGC00164032-01 | phenyl trimethoxy silane | Trimethoxyphenylsilane | UNII-21TQE746S9 | C9H14O3Si | InChI=1/C9H14O3Si/c1-10-13(11-2,12-3)9-7-5-4-6-8-9/h4-8H,1-3H | MFCD00025689 | NSC 93925 | CP0330 | NCGC002

Storage

Room temperature

Shipped In

Normal

Overview

An organosilicate compound for nanoelectronics and material science research.

Specifications

Synonyms

21TQE746S9 | DTXSID5040700 | EINECS 221-066-9 | NCGC00164032-01 | phenyl trimethoxy silane | Trimethoxyphenylsilane | UNII-21TQE746S9 | C9H14O3Si | InChI=1/C9H14O3Si/c1-10-13(11-2, 12-3)9-7-5-4-6-8-9/h4-8H, 1-3H | MFCD00025689 | NSC 93925 | CP0330 | NCGC002

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488182439
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182439
• Canonical Smiles: CO[Si](C1=CC=CC=C1)(OC)OC
• IUPAC Name: trimethoxy(phenyl)silane
• InChIKey: ZNOCGWVLWPVKAO-UHFFFAOYSA-N
• INCHI: 1S/C9H14O3Si/c1-10-13(11-2,12-3)9-7-5-4-6-8-9/h4-8H,1-3H3
• Isomeric SMILES: CO[Si](C1=CC=CC=C1)(OC)OC
• WGK Germany: 3
• RTECS: VV5252000
• PubChem CID: 18137
• Molecular Weight: 198.29
• Beilstein: 2937896

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds
        • Level5 Alkoxysilanes
          • Level6 Trialkoxysilanes

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Alkoxysilanes
• Direct Parent: Trialkoxysilanes
• Alternative Parents: Benzene and substituted derivatives Silyl ethers Organoheterosilanes Organic metalloid salts Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trialkoxysilane - Benzenoid - Monocyclic benzene moiety - Silyl ether - Organoheterosilane - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkoxysilanes. These are organosilicon compounds with the general formula RO[Si](R')(OR'')OR''' (R-R''' = aliphatic organyl group).
• 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive.
• Refractive Index: 1.468
• Flash Point(°F): 84.2 °F
• Flash Point(°C): 183 °F
• Boil Point(°C): 233°C
• Melt Point(°C): -25 °C
• Molecular Weight: 198.290 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 198.071 Da
• Monoisotopic Mass: 198.071 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 134.000
• 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

References

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