Propargyl methanesulfonate ester - CAS 16156-58-4

Catalog:	BB043427
Product Name:	Propargyl methanesulfonate ester
CAS:	16156-58-4
Synonyms:	Propargyl mesylate; 2-Propynyl methanesulfonate; Methanesulfonic acid propargyl ester; 2-Propyn-1-ol, methanesulfonate

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	prop-2-ynyl methanesulfonate
Description:	Propargyl methanesulfonate ester (CAS# 16156-58-4 ) is a useful research chemical.
Molecular Weight:	134.16
Molecular Formula:	C4H6O3S
Canonical SMILES:	CS(=O)(=O)OCC#C
InChI:	InChI=1S/C4H6O3S/c1-3-4-7-8(2,5)6/h1H,4H2,2H3
InChI Key:	OWAHJGWVERXJMI-UHFFFAOYSA-N
Density:	1.268 g/cm³
Appearance:	Orange oil

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Related Functional Groups

Sulfur Compounds

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GHS Hazard Statement:	H301 (75%): Toxic if swallowed [Danger Acute toxicity, oral]; H314 (25%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P332+P317, P362+P364, P363, P405, and P501
Signal Word:	Danger

Complexity:	187
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	134.00376522
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	134.00376522
Rotatable Bond Count:	2
Topological Polar Surface Area:	51.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2