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66003-78-9 molecular structure
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triphenylsulfanium trifluoromethanesulfonate

ChemBase ID: 97407
Molecular Formular: C19H15F3O3S2
Molecular Mass: 412.4458096
Monoisotopic Mass: 412.041471
SMILES and InChIs

SMILES:
[S+](c1ccccc1)(c1ccccc1)c1ccccc1.S(=O)(=O)(C(F)(F)F)[O-]
Canonical SMILES:
c1ccc(cc1)[S+](c1ccccc1)c1ccccc1.FC(S(=O)(=O)[O-])(F)F
InChI:
InChI=1S/C18H15S.CHF3O3S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)8(5,6)7/h1-15H;(H,5,6,7)/q+1;/p-1
InChIKey:
FAYMLNNRGCYLSR-UHFFFAOYSA-M

Cite this record

CBID:97407 http://www.chembase.cn/molecule-97407.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
triphenylsulfanium trifluoromethanesulfonate
IUPAC Traditional name
triphenylsulfonium triflate
Synonyms
TPST
Triphenylsulfonium trifluoromethanesulfonate
Triphenylsulfonium triflate
Triphenylsulphonium triflate
三苯基锍与三氟甲磺酸的盐 (1:1)
三苯基硫三氟甲烷磺酸盐
CAS Number
66003-78-9
MDL Number
MFCD01940916
PubChem SID
24874589
162084014
PubChem CID
11729320

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11729320 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.962643  LogD (pH = 7.4) 3.962643 
Log P 3.962643  Molar Refractivity 82.1787 cm3
Polarizability 32.92 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
132-134°C expand Show data source
133-137 °C(lit.) expand Show data source
Absorption Wavelength
λmax 233 nm expand Show data source
Storage Warning
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Linear Formula
CF3SO3S(C6H5)3 expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific Sigma Aldrich Sigma Aldrich
Apollo Scientific Ltd - PC4475 external link
Photoinitiator/photoacid generator
Sigma Aldrich - 526940 external link
Application
Cationic photoinitiator. Photoacid generator.
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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