Cerium(III) trifluoromethanesulfonate

C₃CeF₉O₉S₃CAS 76089-77-5587.31 g/mol

Open in Covalent MOL file

Alkyl halide Sulfonic acid

Properties

Molecular formula: C₃CeF₉O₉S₃
Molar mass: 587.31 g/mol
Exact mass: 586.7615 Da
logP: 0.15Crippen estimate
Polar surface area: 171.6 Å²
H-bond donors / acceptors: 0 / 9
Rotatable bonds: 0

Hazards

Danger

H314 Causes severe skin burns and eye damage20% of notifiers
H315 Causes skin irritation80% of notifiers
H318 Causes serious eye damage20% of notifiers
H319 Causes serious eye irritation80% of notifiers
H335 May cause respiratory irritation80% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

76089-77-5

SMILES

C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Ce+3]

InChIKey

PHSMPGGNMIPKTH-UHFFFAOYSA-K

InChI

InChI=1S/3CHF3O3S.Ce/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Cerium(III) trifluoromethanesulfonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Triflic acid1493-13-6Free acid Lithium triflate33454-82-9Salt Copper(II) triflate34946-82-2Salt Zinc triflate54010-75-2Salt Silver trifluoromethanesulfonate2923-28-6Salt Scandium(III) trifluoromethanesulfonate144026-79-9Salt N-Fluoropyridinium triflate107263-95-6Salt 1-Butyl-3-methylimidazolium trifluoromethanesulfonate174899-66-2Salt 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate145022-44-2Salt Triphenylsulfonium triflate66003-78-9Salt Diphenyliodonium triflate66003-76-7Salt Yttrium triflate52093-30-8Salt

Similar compounds

Hafnium(IV) trifluoromethanesulfonate161337-67-371 % similar Bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate99326-34-856 % similar Trifluoromethanesulfonyl chloride421-83-038 % similar Lithium nonafluorobutanesulfonate131651-65-534 % similar Potassium perfluorobutanesulfonate29420-49-334 % similar Potassium perfluorooctanesulfonate2795-39-333 % similar Trifluoromethanesulfonyl fluoride335-05-733 % similar Potassium perfluorohexanesulfonate3871-99-633 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook