(4-Chlorophenyl)triethoxysilane - ≥95% , CAS No.21700-74-3

CAS: 21700-74-3 Cat. No.: C331178 Molecular Weight: 274.82

GRADE & PURITY ≥95%

Synonyms

(4-Chlorophenyl)(triethoxy)silane # | (P-CHLOROPHENYL)TRIETHOXYSILANE | SILANE, (P-CHLOROPHENYL)TRIETHOXY- | ETHYL1-METHYLBICYCLO[2.2.2]OCTANE-2-CARBOXYLATE | TRIETHOXY(P-CHLOROPHENYL)SILANE | TRIETHOXY(4-CHLOROPHENYL)SILANE | 4-chlorophenyl triethoxysila

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

(4-Chlorophenyl)triethoxysilane is a nucleophile that can be utilized in Pd-catalyzed cross-coupling.

application：

(4-Chlorophenyl)triethoxysilane can be used:

To facilitate the connection between dipolar mixed monolayers and zinc oxide in photovoltaic devices.

As a substrate in the Ni-catalyzed decarboxylative coupling with alkynyl carboxylic acids to yield substituted diarylalkynes.

As a substrate in the Hiyama cross-coupling reactions with 3-iodoazetidines to yield substituted 3-arylazetidines.

As an intermediate in the synthesis of tripod-shaped oligo(p-phenylene)s, which are used in the surface immobilization of gold and CdS quantum dots for sensor applications.

Specifications

Synonyms

(4-Chlorophenyl)(triethoxy)silane # | (P-CHLOROPHENYL)TRIETHOXYSILANE | SILANE, (P-CHLOROPHENYL)TRIETHOXY- | ETHYL1-METHYLBICYCLO[2.2.2]OCTANE-2-CARBOXYLATE | TRIETHOXY(P-CHLOROPHENYL)SILANE | TRIETHOXY(4-CHLOROPHENYL)SILANE | 4-chlorophenyl triethoxysila

Specifications & Purity

≥95%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504755972
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755972
• Canonical Smiles: CCO[Si](C1=CC=C(C=C1)Cl)(OCC)OCC
• IUPAC Name: (4-chlorophenyl)-triethoxysilane
• InChIKey: AFILDYMJSTXBAR-UHFFFAOYSA-N
• INCHI: 1S/C12H19ClO3Si/c1-4-14-17(15-5-2,16-6-3)12-9-7-11(13)8-10-12/h7-10H,4-6H2,1-3H3
• Isomeric SMILES: CCO[Si](C1=CC=C(C=C1)Cl)(OCC)OCC
• WGK Germany: 3
• Molecular Weight: 274.82
• Reaxy-Rn: 2943286
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2943286&ln=

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: Chlorobenzenes Aryl chlorides Silyl ethers Organoheterosilanes Organic metalloid salts Organooxygen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trialkoxysilane - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Silyl ether - Organoheterosilane - Organic metalloid salt - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - Organic salt - Hydrocarbon derivative - 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

• Sensitivity: Moisture sensitive
• Flash Point(°F): >230 °F
• Flash Point(°C): >110 °C
• Boil Point(°C): 82-84° C (lit.) at 0.07 mmHg
• Molecular Weight: 274.810 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 274.079 Da
• Monoisotopic Mass: 274.079 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 191.000
• 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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