257443

Sigma-Aldrich

Fluoroacetonitrile

98%

Linear Formula:
FCH2CN
CAS Number:
Molecular Weight:
59.04
MDL number:
PubChem Substance ID:
NACRES:
NA.22
Pricing and availability is not currently available.

Quality Level

assay

98%

refractive index

n20/D 1.333 (lit.)

bp

79-80 °C (lit.)

density

1.061 g/mL at 25 °C (lit.)

SMILES string

FCC#N

InChI

1S/C2H2FN/c3-1-2-4/h1H2

InChI key

GNFVFPBRMLIKIM-UHFFFAOYSA-N

Application

Fluoroacetonitrile has been used in preparation of:
  • 2-fluoromethyl-4,4,6-trimethyl-1,3-oxazine
  • α-fluorinated acetophenone
  • 2-amino-2-fluoromethyl-3-pentenenitrile, a key intermediate in the synthesis of 2,5-diamino-2-fluoromethyl-3(E)-pentenoic acid

Packaging

1 g in glass bottle

Pictograms

FlameSkull and crossbones

Signal Word

Danger

Target Organs

Respiratory system

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

Hazard Codes

F,T

Risk Statement

11-23/24/25-36/37/38

Safety Statement

16-26-27-36/37/39-45

RIDADR

UN 3273 6.1(3) / PGII

WGK Germany

WGK 3

Flash Point(F)

6.8 °F - closed cup

Flash Point(C)

-14 °C - closed cup

Erum Raja et al.
Tetrahedron letters, 52(40), 5170-5172 (2012-03-03)
Fluoro-substituted aliphatic nitriles are shown to undergo the Houben-Hoesch reactions with arenes in CF(3)SO(3)H to give fluoro-substituted ketones in good yields. The fluorine substituents appear to enhance the reactivities of the nitriles (and the nitrilium ion intermediates) compared to similar...
Preparative flow techniques. 2. Grignard addition reaction on fluoroaceto-nitrile: Synthesis of 2-amino-2-fluoromethyl-3-pentenenitrile.
Gerhart F, et al.
Journal of Fluorine Chemistry, 50(2), 243-249 (1990)
2-Fluoromethyl-4, 4, 6-trimetiiyl-1, 3-oxasine as a new reagent for the preparation of a-fluoroaldehydes.
Patrick TB, et al.
Tetrahedron Letters, 31(2), 179-182 (1990)
Santanu Mondal et al.
ACS chemical biology, 13(4), 1057-1065 (2018-03-09)
Protein arginine deiminases (PADs) play an important role in the pathogenesis of various diseases, including rheumatoid arthritis, multiple sclerosis, lupus, ulcerative colitis, and breast cancer. Therefore, the development of PAD inhibitors has drawn significant research interest in recent years. Herein...

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