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

CAS: 2996-92-1 Cat. No.: T118549 Formula: C₉H₁₄O₃Si 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.
• x_refractive_index: 1.468
• x_flash_point_drop_fahrenheit: 84.2 °F
• x_flash_point_drop_centigrade: 183 °F
• x_boil_point_char: 233°C
• x_melt_point_char: -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