2-Butynyl p-toluenesulfonate - CAS 56563-37-2

Catalog:	BB029406
Product Name:	2-Butynyl p-toluenesulfonate
CAS:	56563-37-2
Synonyms:	but-2-ynyl 4-methylbenzenesulfonate

Technical Data

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Computed Properties

IUPAC Name:	but-2-ynyl 4-methylbenzenesulfonate
Description:	2-Butynyl p-toluenesulfonate (CAS# 56563-37-2 ) is a useful research chemical.
Molecular Weight:	224.28
Molecular Formula:	C11H12O3S
Canonical SMILES:	CC#CCOS(=O)(=O)C1=CC=C(C=C1)C
InChI:	InChI=1S/C11H12O3S/c1-3-4-9-14-15(12,13)11-7-5-10(2)6-8-11/h5-8H,9H2,1-2H3
InChI Key:	HGZKJNHJABSJTC-UHFFFAOYSA-N
Boiling Point:	355.2 ℃ at 760 mmHg
Density:	1.01 g/cm³
MDL:	MFCD00078395
LogP:	2.80440

Publication Number	Title	Priority Date
WO-2020198464-A1	Highly selective electrochemical hydrogenation of alkynes	20190326
JP-2020144990-A	Manufacturing method of non-aqueous electrolyte secondary battery and non-aqueous electrolyte secondary battery	20190304
EP-3696901-A1	Lithium secondary battery	20190212
US-2020259209-A1	Electroltye and lithium battery including the electrolyte	20190212
WO-2019136145-A1	Prins reaction and compounds useful in the synthesis of halichondrin macrolides and analogs thereof	20180103

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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:	344
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	224.05071541
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	224.05071541
Rotatable Bond Count:	3
Topological Polar Surface Area:	51.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2