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3-[(Trimethylsilyl)ethynyl]benzonitrile

3-[(Trimethylsilyl)ethynyl]benzonitrile - CAS 190771-22-3

Catalog:	BB014742
Product Name:	3-[(Trimethylsilyl)ethynyl]benzonitrile
CAS:	190771-22-3
Synonyms:	3-(2-trimethylsilylethynyl)benzonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	3-(2-trimethylsilylethynyl)benzonitrile
Description:	3-[(Trimethylsilyl)ethynyl]benzonitrile (CAS# 190771-22-3) is a useful research chemical.
Molecular Weight:	199.32
Molecular Formula:	C12H13NSi
Canonical SMILES:	C[Si](C)(C)C#CC1=CC(=CC=C1)C#N
InChI:	InChI=1S/C12H13NSi/c1-14(2,3)8-7-11-5-4-6-12(9-11)10-13/h4-6,9H,1-3H3
InChI Key:	QEZDMZVLNWSJSA-UHFFFAOYSA-N
Boiling Point:	261.8 °C at 760 mmHg
Density:	0.99 g/cm³
Appearance:	White to tan solid or powder
LogP:	2.78718

Publication Number	Title	Priority Date
WO-2020223672-A1	Functionalized cyclic polymers and methods of preparing same	20190501
CN-106661031-B	Pyrrolopyrimidine compounds or its salt, pharmaceutical composition and application containing it	20140624
WO-2010063487-A1	Pyrazolopyrimidines, a process for their preparation and their use as medicine	20081205
US-2011212999-A1	Triazole derivatives and their use as nicotinic acetylcholine receptor modulators	20080902
WO-2010026134-A1	Triazole derivatives and their use as nicotinic acetylcholine receptor modulators	20080902

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Related Functional Groups

Alkynes

[5272-36-6]
3-(Trimethylsilyl)propargyl alcohol
[137648-47-6]
Silane, [(2-iodophenyl)ethynyl]trimethyl-
[5390-04-5]
4-Pentyn-1-ol
[1450754-38-7]
3-(But-3-yn-1-yl)-3-(2-iodoethyl)-3H-diazirine
[15430-52-1]
Propargylamine hydrochloride
[2132-62-9]
1,2-Bis(4-methoxyphenyl)ethyne

Complexity:	303
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.081725953
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	199.081725953
Rotatable Bond Count:	2
Topological Polar Surface Area:	23.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0