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2-[(Trimethylsilyl)ethynyl]toluene

2-[(Trimethylsilyl)ethynyl]toluene - CAS 3989-15-9

Catalog:	BB024187
Product Name:	2-[(Trimethylsilyl)ethynyl]toluene
CAS:	3989-15-9
Synonyms:	trimethyl-[2-(2-methylphenyl)ethynyl]silane

Technical Data

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Computed Properties

IUPAC Name:	trimethyl-[2-(2-methylphenyl)ethynyl]silane
Description:	2-[(Trimethylsilyl)ethynyl]toluene (CAS# 3989-15-9 ) is a useful research chemical.
Molecular Weight:	188.34
Molecular Formula:	C12H16Si
Canonical SMILES:	CC1=CC=CC=C1C#C[Si](C)(C)C
InChI:	InChI=1S/C12H16Si/c1-11-7-5-6-8-12(11)9-10-13(2,3)4/h5-8H,1-4H3
InChI Key:	POJCCZAVVWWXNS-UHFFFAOYSA-N
Boiling Point:	50-60 °C / 0.5 mmHg (lit.)
Density:	0.880 g/cm³
Appearance:	Colorless to yellow liquid
MDL:	MFCD03427240
LogP:	3.22390

Publication Number	Title	Priority Date
WO-2020223672-A1	Functionalized cyclic polymers and methods of preparing same	20190501
CN-107459438-B	Novel practical nonmetal-catalyzed silica-based deprotection method	20170701
CN-109311886-A	Novel [1,2,3] triazol [4,5-d] pyrimidine derivatives	20160623
CN-109348716-A	There are [1,2,3] triazol [4,5-d] pyrimidine derivatives of affinity to 2 type Cannabined receptors	20160623
WO-2010063487-A1	Pyrazolopyrimidines, a process for their preparation and their use as medicine	20081205

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Related Functional Groups

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	223
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.102127045
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	188.102127045
Rotatable Bond Count:	2
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0