Triethoxyphenylsilane - ≥98% , CAS No.780-69-8

CAS: 780-69-8 Cat. No.: T118551 Molecular Weight: 240.37 Beilstein Registry Number: 2940602 EC Number: 212-305-8 PubChem CID: 13075

GRADE & PURITY ≥98%

Synonyms

Triethoxyfenylsilan [Czech] | E75918 | Benzene, (triethoxysilyl)- | FT-0632953 | STL453639 | DTXCID6024462 | DTXSID8044462 | C12H20O3Si | phenyltri(ethoxy)silane | NCGC00255717-01 | AKOS008901273 | Triethoxyphenylsilane, 98% | WLN: 2O-SI-R&O2&O2 | NSC 771

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

A silicon-based nucleophile shown to be reactive in Pd-catalyzed cross-coupling reactions.

Specifications

Synonyms

Triethoxyfenylsilan [Czech] | E75918 | Benzene, (triethoxysilyl)- | FT-0632953 | STL453639 | DTXCID6024462 | DTXSID8044462 | C12H20O3Si | phenyltri(ethoxy)silane | NCGC00255717-01 | AKOS008901273 | Triethoxyphenylsilane, 98% | WLN: 2O-SI-R&O2&O2 | NSC 771

Specifications & Purity

≥98%

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

≥98%

Names and Identifiers

• Canonical Smiles: CCO[Si](C1=CC=CC=C1)(OCC)OCC
• IUPAC Name: triethoxy(phenyl)silane
• InChIKey: JCVQKRGIASEUKR-UHFFFAOYSA-N
• INCHI: 1S/C12H20O3Si/c1-4-13-16(14-5-2,15-6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3
• Isomeric SMILES: CCO[Si](C1=CC=CC=C1)(OCC)OCC
• WGK Germany: 3
• RTECS: VV4900000
• PubChem CID: 13075
• UN Number: 1993
• Molecular Weight: 240.37
• Beilstein: 2940602
• Reaxy-Rn: 2940602

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

Chemical and Physical Properties

• Solubility: Hydrolyzes in water.
• Sensitivity: Moisture &heat Sensitive
• Refractive Index: 1.461
• Flash Point(°C): 111℃
• Boil Point(°C): 112-113 °C/10 mmHg (lit.)
• Melt Point(°C): -53.5℃
• Molecular Weight: 240.370 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 240.118 Da
• Monoisotopic Mass: 240.118 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 164.000
• 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

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