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28961

Sigma-Aldrich

1,3-Bis(cyanomethyl)imidazolium bis(trifluoromethylsulfonyl)imide

≥94% (HPLC/T)

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Empirical Formula (Hill Notation):
C9H7F6N5O4S2
CAS Number:
934047-87-7
Molecular Weight:
427.30
MDL number:
MFCD09265192
UNSPSC Code:
12352100
PubChem Substance ID:
57648309
NACRES:
NA.22

Quality Level

100

Assay

≥94% (HPLC/T)

form

solid

impurities

≤1.0% water

mp

81-85 °C

SMILES string

N#CCn1cc[n+](CC#N)c1.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

InChI

1S/C7H7N4.C2F6NO4S2/c8-1-3-10-5-6-11(7-10)4-2-9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-7H,3-4H2;/q+1;-1

InChI key

ORJULSCFWHFTFU-UHFFFAOYSA-N

Application

Nitrile-functionalized ionic liquid showing superior characteristics in Suzuki and Stille coupling reactions.

Pictograms

CorrosionExclamation mark
GHS05,GHS07

Signal Word

Danger

Hazard Statements

H302,H315,H318,H335

Precautionary Statements

P261 - P280 - P305 + P351 + P338

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Dongbin Zhao et al.
Journal of the American Chemical Society, 126(48), 15876-15882 (2004-12-02)
A series of relatively low-cost ionic liquids, based on the N-butyronitrile pyridinium cation [C(3)CNpy](+), designed to improve catalyst retention, have been prepared and evaluated in Suzuki and Stille coupling reactions. Depending on the nature of the anion, these salts react

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