Diphenyl(trifluoromethyl)sulfanium trifluoromethanesulfonate
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Basic information
- CAS
147531-11-1- Standard SMILES
FC(F)(F)[S+](c1ccccc1)c1ccccc1.O=S(=O)([O-])C(F)(F)F- InChIKey
YHEBUXDOUNWVNZ-UHFFFAOYSA-M- Molecular formula
- C14H10F6O3S2
- Average molar mass
- 404.4 g/mol
- Monoisotopic mass
- 403.9975555
Names & identifiers
- Preferred name
- Diphenyl(trifluoromethyl)sulfanium trifluoromethanesulfonate
- IUPAC
- diphenyl(trifluoromethyl)sulfanium;trifluoromethanesulfonate
- English name
- Diphenyl(trifluoromethyl)sulfonium trifluoromethanesulfonate
- Molecular formula
- C13H10F3S.CF3O3S
- Molecular weight
- 404.35
Names & synonyms
147531-11-1diphenyl(trifluoromethyl)sulfanium trifluoromethanesulfonateDTXSID60593403RefChem:338955DTXCID10544167DIPHENYL(TRIFLUOROMETHYL)SULFONIUM TRIFLUOROMETHANESULFONATEMFCD12912173diphenyl(trifluoromethyl)sulfanium;trifluoromethanesulfonateSulfonium, diphenyl(trifluoromethyl)-, 1,1,1-trifluoromethanesulfonate (1:1)Diphenyltrifluoromethylsulfonium TriflateDiphenyl-(trifluoromethyl)-sulfonium trifluoromethanesulfonateC14H10F6O3S2
Show more names
Diphenyl(trifluoromethyl)diphenyl(trifluoromethyl)sulfaniumsulfonium trifluoromethanesulfonatediphenyl-(trifluoroMethyl)-sulfoniuM(S)-(trifluoroMethyl)diphenylsulfoniuM triflateDiphenyl(trifluoromethyl)sulfonium trifluoromethanesulfotDiphenyl-(trifluoroMethyle)-sulfoniuM trifluoroMethancesulfonate
SCHEMBL6708430Diphenyl(trifluoromethyl)sulfonium trifluoromethanesulfonatAKOS005063343DS-7584SB22073SY017427CS-0049606F608408
Database identifiers
- CAS
147531-11-1- PubChem CID
- 18401167
- DTXSID
DTXSID60593403- EC Number
- 809-133-6
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 354
Physicochemical properties
- Melting point
- 84 · 84-85 °C
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Appearance
- Light brown to brown Solid
- InChI
- InChI=1S/C13H10F3S.CHF3O3S/c14-13(15,16)17(11-7-3-1-4-8-11)12-9-5-2-6-10-12;2-1(3,4)8(5,6)7/h1-10H;(H,5,6,7)/q+1;/p-1
- InChIKey
- YHEBUXDOUNWVNZ-UHFFFAOYSA-M
- SMILES
- C(F)(F)(F)S(=O)(=O)[O-].C1=CC=CC([S+](C(F)(F)F)C2C=CC=CC=2)=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- HS Code
- 29339900 · 29339900
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 29339900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesDiphenyl(trifluoromethyl)sulfonium trifluoromethanesulfonate can be used as a raw material for organic synthesis with styrene derivatives to synthesise 2-arylazo pyridine at low temperature[1].
Suppliers
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Related reactions
1 records
Compound notes
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