Author:
Lin Bo,Huang Yangjie,Weng Zhiqiang
Abstract
image
[2643982‐16‐3]
C
8
H
4
F
3
N
3
O
5
(MW 279.0103)
InChI =
1S/C8H4F3N3O5/c9‐8(10,11)4‐12‐19‐7‐2‐1‐5(13(15)16)3‐6(7)14(17)18/h1‐4H/b12‐4+
InChIKey =
CVORTHGODGTDLP‐UUILKARUSA‐N
image
[2643982‐19‐6]
C
9
H
5
F
3
N
2
O
(MW 214.0354)
InChI =
1S/C9H5F3N2O/c10‐9(11,12)6‐14‐15‐8‐3‐1‐7(5‐13)2‐4‐8/h1‐4,6H/b14‐6+
InChIKey =
POTWGQGQHPHXHB‐MKMNVTDBSA‐N
(precursors for trifluoroacetonitrile)
Solubility
: CH
2
Cl
2
, CHCl
3
, CH
3
CN, DMF, dimethyl sulfoxide (DMSO), tetrahydrofuran (THF), and
N
‐methyl 2‐pyrrolidone (NMP).
Form Supplied in
: white solid; commercially available from Leyan Reagent Co., Ltd.
Preparative Method
: prepared from a condensation reaction of trifluoroacetaldehyde hydrate with
O
‐(aryl)hydroxylamine under acid condition.
1
Handling, Storage, and Precautions
: it is known that trifluoroacetonitrile is a highly toxic gas (boiling point −64 °C) and must be handled with care. Rapid evolution of CF
3
CN gas will occur when this reagent reacts with a base. All operations were performed in the fume hood in good condition.