Bis(trifluoromethanesulfonyl)aniline

C₈H₅F₆NO₄S₂CAS 37595-74-7357.24 g/mol

Open in Covalent MOL file

Alkyl halide Sulfonamide

Properties

Molecular formula: C₈H₅F₆NO₄S₂
Molar mass: 357.24 g/mol
Exact mass: 356.9564 Da
Melting point: 95–96 °C
logP: 2.19Crippen estimate
Polar surface area: 71.5 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation92.7% of notifiers

Aggregated from 55 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

37595-74-7

SMILES

O=S(=O)(N(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F

InChIKey

DIOHEXPTUTVCNX-UHFFFAOYSA-N

InChI

InChI=1S/C8H5F6NO4S2/c9-7(10,11)20(16,17)15(6-4-2-1-3-5-6)21(18,19)8(12,13)14/h1-5H

Weigh it out

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

Names and synonyms

20 names · show all

Methanesulfonamide, 1,1,1-trifluoro-N-phenyl-N-[(trifluoromethyl)sulfonyl]-
1,1,1-Trifluoro-N-phenyl-N-[(trifluoromethyl)sulfonyl]methanesulfonamide
N,N-Bis(trifluoromethylsulfonyl)aniline
N,N-Bis(trifluoromethylsulfonyl)phenylamine
Phenyl triflimide
N-Phenyltriflimide
N,N-Bis(trifluoromethanesulfonyl)aniline
N-Phenyltrifluoromethanesulfonimide
N-Phenyltrifluoromethylsulfonimide
Phenyl bis((trifluoromethyl)sulfonyl)amine
Trifluoro-N-phenyl-N-[(trifluoromethyl)sulfonyl]methanesulfonamide
NSC 240874
N-Phenylbis(trifluoromethanesulfonimide)
1,1,1-Trifluoro-N-phenyl-N-trifluoromethanesulfonylmethanesulfonamide
N-Phenyl-N-[(trifluoromethyl)sulfonyl]trifluoromethanesulfonamide
N-Phenylbis(trifluoromethanesulfonyl)imide
PhNTf2
N-Phenyl-N-(trifluoromethanesulfonyl)trifluoromethanesulfonamide
N,N′-Bis(trifluoromethanesulfonyl)aniline
N-Phenyl-bis(trifluoromethanesulfonimide)

Work with Bis(trifluoromethanesulfonyl)aniline

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

Similar compounds

2-[N,N-Bis(trifluoromethylsulfonyl)amino]pyridine145100-50-158 % similar Comins' reagent145100-51-249 % similar Diphenylammonium trifluoromethanesulfonate164411-06-740 % similar 1,1,1-Trifluoro-N-(phenylmethyl)methanesulfonamide36457-58-639 % similar Diphenyliodonium triflate66003-76-739 % similar Triphenylsulfonium triflate66003-78-939 % similar Diphenylformamide607-00-138 % similar 1-Fluoro-2-[(trifluoromethyl)sulfonyl]benzene2358-41-037 % similar

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

Elsewhere

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