Methyl 3-[2-(trimethylsilyl)ethynyl]benzoate

CAS Registry Number®

77123-59-2
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CAS Name

Methyl 3-[2-(trimethylsilyl)ethynyl]benzoate

Molecular Formula

C13H16O2Si

Molecular Mass

232.35

Cite this Page

Methyl 3-[2-(trimethylsilyl)ethynyl]benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=77123-59-2 (retrieved 2024-07-02) (CAS RN: 77123-59-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    79-85 °C @ Press: 1 x 10-3 Torr

  • Melting Point (2)

    49-50 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H16O2Si/c1-15-13(14)12-7-5-6-11(10-12)8-9-16(2,3)4/h5-7,10H,1-4H3

InChIKey

InChIKey=NSXWMGYQHNWJQL-UHFFFAOYSA-N

SMILES

C(OC)(=O)C1=CC(C#C[Si](C)(C)C)=CC=C1

Canonical SMILES

O=C(OC)C=1C=CC=C(C#C[Si](C)(C)C)C1

Other Names for this Substance

  • Benzoic acid, 3-[2-(trimethylsilyl)ethynyl]-, methyl ester
  • Benzoic acid, 3-[(trimethylsilyl)ethynyl]-, methyl ester
  • Methyl 3-[2-(trimethylsilyl)ethynyl]benzoate
  • Methyl 3-[(trimethylsilyl)ethynyl]benzoate
  • 3-Trimethylsilanylethynyl-benzoic acid methyl ester