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Triphenylphosphonium anhydride triflate

HCID 11040176
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Basic information

CAS
72450-51-2
Standard SMILES
O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.c1ccc([P+](O[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIKey
XYOGBCBYMIAUAB-UHFFFAOYSA-L
Molecular formula
C38H30F6O7P2S2
Average molar mass
838.7 g/mol
Monoisotopic mass
838.08123861

Names & identifiers

Preferred name
Triphenylphosphonium anhydride triflate
IUPAC
bis(trifluoromethanesulfonate);triphenyl(triphenylphosphaniumyloxy)phosphanium

Names & synonyms

72450-51-2Hendrickson reagentHendrickson's reagentTriphenylphosphonium anhydride triflateHendrickson's reagent [MI]F957TSW36QTriphenylphosphonium anhydride trifluoromethanesulfonatetriphenyl[(triphenylphosphaniumyl)oxy]phosphanium ditrifluoromethanesulfonatemu-Oxohexaphenyldiphosphorus(2+) 1,1,1-trifluoromethanesulfonic acid (1:2)Phosphorus(2+), mu-oxohexaphenyldi-, 1,1,1-trifluoromethanesulfonic acid (1:2).MU.-OXOHEXAPHENYLDIPHOSPHORUS(2+) 1,1,1-TRIFLUOROMETHANESULFONIC ACID (1:2)PHOSPHORUS(2+), .MU.-OXOHEXAPHENYLDI-, 1,1,1-TRIFLUOROMETHANESULFONIC ACID (1:2)
Show more names
triphenyl((triphenylphosphaniumyl)oxy)phosphanium ditrifluoromethanesulfonateRefChem:900020894-012-0UNII-F957TSW36Q1,1,1,3,3,3-HEXAPHENYLDIPHOSPHOXANE-1,3-DIIUM TRIFLUOROMETHANESULFONATESCHEMBL734953XYOGBCBYMIAUAB-UHFFFAOYSA-LMFCD16876580

Database identifiers

CAS
72450-51-2
PubChem CID
11040176
UNII

Properties

Computed structural properties

Topological polar surface area
140 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
13
Rotatable bonds
8
Heavy atoms
55
Formal charge
0
Complexity
695

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 · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Related reactions

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Compound notes

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F957TSW36Q
EC Number
894-012-0