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257443

Fluoroacetonitrile

98%

Synonym(s):

2-Fluoroacetonitrile, Fluoromethyl cyanide, Monofluoroacetonitrile

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About This Item

Linear Formula:
FCH2CN
CAS Number:
503-20-8
Molecular Weight:
59.04
NACRES:
NA.22
PubChem Substance ID:
24855588
UNSPSC Code:
12352100
MDL number:
MFCD00009969
Assay:
98%
Form:
liquid
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Quality Level

100

assay

98%

form

liquid

refractive index

n20/D 1.333 (lit.)

bp

79-80 °C (lit.)

density

1.061 g/mL at 25 °C (lit.)

functional group

fluoro, nitrile

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

pictograms

FlameSkull and crossbones
GHS02,GHS06

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

6.8 °F - closed cup

flash_point_c

-14 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品

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Certificates of Analysis (COA)

Lot/Batch Number
MKCV9495
MKCW8742
MKCT3132
MKCR3543
MKCM0471

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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)
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)
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
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Global Trade Item Number

SKUGTIN
257443-1G04061836826055