p-Tolyl trifluoromethanesulfonate - CAS 29540-83-8

Catalog:	BB020234
Product Name:	p-Tolyl trifluoromethanesulfonate
CAS:	29540-83-8
Synonyms:	(4-methylphenyl) trifluoromethanesulfonate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(4-methylphenyl) trifluoromethanesulfonate
Description:	p-Tolyl trifluoromethanesulfonate (CAS# 29540-83-8) is a useful research chemical.
Molecular Weight:	240.20
Molecular Formula:	C8H7F3O3S
Canonical SMILES:	CC1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F
InChI:	InChI=1S/C8H7F3O3S/c1-6-2-4-7(5-3-6)14-15(12,13)8(9,10)11/h2-5H,1H3
InChI Key:	XXSBXVHIYGQWDV-UHFFFAOYSA-N
Boiling Point:	115 °C / 50 mmHg (lit.)
Density:	1.342 g/mL at 25 °C (lit.)
MDL:	MFCD00192507
LogP:	3.30420

Publication Number	Title	Priority Date
CN-110903316-B	Phosphonate compound and preparation method and application thereof	20191205
DE-102019129517-A1	Cationically moisture-induced hardenable mass, use of the mass and methods for joining, potting and coating substrates	20191031
WO-2021083632-A1	Composition curable cationically in a moisture-induced manner, use of the composition and method of joining, encapsulating and coating substrates	20191031
WO-2020189540-A1	Method for preparing aromatic amino acid derivative	20190315
KR-20210102416-A	Method for manufacturing a semiconductor substrate	20181221

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Related Functional Groups

Sulfur Compounds

[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[85-47-2]
1-Naphthalenesulfonic acid
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[832739-83-0]
3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol

GHS Hazard Statement:	H301 (95%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P201, P202, P260, P261, P264, P270, P271, P280, P281, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P308+P313, P310, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	296
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	240.00679974
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	240.00679974
Rotatable Bond Count:	2
Topological Polar Surface Area:	51.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3