544221
2-Fluoro-5-nitrobenzonitrile
97%
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About This Item
Linear Formula:
FC6H3(CN)NO2
CAS Number:
Molecular Weight:
166.11
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
97%
Product Name
2-Fluoro-5-nitrobenzonitrile, 97%
InChI
1S/C7H3FN2O2/c8-7-2-1-6(10(11)12)3-5(7)4-9/h1-3H
SMILES string
[O-][N+](=O)c1ccc(F)c(c1)C#N
InChI key
YLACBMHBZVYOAP-UHFFFAOYSA-N
assay
97%
mp
76-80 °C (lit.)
functional group
fluoro
nitrile
nitro
Quality Level
Application
2-Fluoro-5-nitrobenzonitrile may be used in the preparation of:
- 2-fluoro-5-aminobenzonitrile
- ethyl 3-amino-5-nitro-benzo[b]thiophene-2-carboxylate
- 1-methyl-5-nitro-1H-indazol-3-ylamine
General description
2-Fluoro-5-nitrobenzonitrile can be prepared from 2-fluorobenzonitrile via nitration.
signalword
Warning
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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Synthesis, antiproliferative activity, and in silico insights of new 3-benzoylamino-benzo [b] thiophene derivatives.
Martorana A, et al.
European Journal of Medicinal Chemistry, 90, 537-546 (2015)
Mimi L Quan et al.
Journal of medicinal chemistry, 48(6), 1729-1744 (2005-03-18)
Modification of a series of pyrazole factor Xa inhibitors to incorporate an aminobenzisoxazole as the P(1) ligand resulted in compounds with improved selectivity for factor Xa relative to trypsin and plasma kallikrein. Further optimization of the P(4) moiety led to
A method for the regioselective synthesis of 1-alkyl-1H-indazoles.
Liu HJ, et al.
Tetrahedron, 69(19), 3907-3912 (2013)
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