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p-Tolyl [2-(trimethylsilyl)ethynyl] sulfone

p-Tolyl [2-(trimethylsilyl)ethynyl] sulfone - CAS 34452-56-7

Catalog:	BB022145
Product Name:	p-Tolyl [2-(trimethylsilyl)ethynyl] sulfone
CAS:	34452-56-7
Synonyms:	trimethyl-[2-(4-methylphenyl)sulfonylethynyl]silane

Technical Data

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Computed Properties

IUPAC Name:	trimethyl-[2-(4-methylphenyl)sulfonylethynyl]silane
Description:	p-Tolyl [2-(trimethylsilyl)ethynyl] sulfone (CAS# 34452-56-7 ) is a useful research chemical.
Molecular Weight:	252.40
Molecular Formula:	C12H16O2SSi
Canonical SMILES:	CC1=CC=C(C=C1)S(=O)(=O)C#C[Si](C)(C)C
InChI:	InChI=1S/C12H16O2SSi/c1-11-5-7-12(8-6-11)15(13,14)9-10-16(2,3)4/h5-8H,1-4H3
InChI Key:	MMUNNGUGQXEUBR-UHFFFAOYSA-N
Boiling Point:	330 °C at 760 mmHg
Melting Point:	80-83 °C(lit.)
Purity:	95 %
Density:	1.085 g/cm³
MDL:	MFCD00192508
LogP:	3.68780

Publication Number	Title	Priority Date
CN-111211355-A	High-voltage lithium ion battery electrolyte additive, electrolyte and battery thereof	20200115
CN-104531397-A	Cleaning solution for sheet glass substrate thinning pre-cleaning, and application thereof	20141118
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US-8030300-B2	Ligands for nicotinic acetylcholine receptors, and methods of making and using them	20030610
WO-2005000806-A2	Ligands for nicotinic acetylcholine receptors, and methods of making and using them	20030610

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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:	392
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	252.06402746
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	252.06402746
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0