2,2,2-Trifluoroethyl methanesulfonate - CAS 25236-64-0

Catalog:	BB018809
Product Name:	2,2,2-Trifluoroethyl methanesulfonate
CAS:	25236-64-0
Synonyms:	2,2,2-trifluoroethyl methanesulfonate

Technical Data

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Computed Properties

IUPAC Name:	2,2,2-trifluoroethyl methanesulfonate
Description:	2,2,2-Trifluoroethyl methanesulfonate (CAS# 25236-64-0) is a useful research chemical.
Molecular Weight:	178.13
Molecular Formula:	C3H5F3O3S
Canonical SMILES:	CS(=O)(=O)OCC(F)(F)F
InChI:	InChI=1S/C3H5F3O3S/c1-10(7,8)9-2-3(4,5)6/h2H2,1H3
InChI Key:	ICECLJDLAVVEOW-UHFFFAOYSA-N
Boiling Point:	189.7 °C at 760 mmHg
Purity:	> 98.0 % (GC)
Density:	1.513 g/cm³
MDL:	MFCD00025058
LogP:	1.60570

Publication Number	Title	Priority Date
CN-112778838-A	Inorganic nano material printing ink and preparation method thereof	20201207
CN-111454729-A	Liquid crystal compound containing difluoroethyleneoxy and composition	20191216
CN-110372480-A	A kind of liquid-crystal compounds and combinations thereof with trifluoro ethoxy	20190807
CN-110373210-A	A kind of liquid-crystal compounds and combinations thereof containing difluoroethoxy	20190807
US-2020325353-A1	Anionic polishing pads formed by printing processes	20190412

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GHS Hazard Statement:	H302 (67.94%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P272, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P330, P333+P313, P363, P405, and P501
Signal Word:	Danger

Complexity:	186
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.99114968
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	177.99114968
Rotatable Bond Count:	2
Topological Polar Surface Area:	51.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8