4-AMINO-2-FLUOROBENZONITRILE Chemical Properties

Melting point:

103-105°

Boiling point:

288.2±25.0 °C(Predicted)

Density 

1.25±0.1 g/cm3(Predicted)

storage temp. 

2-8°C(protect from light)

pka

0.71±0.10(Predicted)

form 

crystalline solid

color 

Light to dark brown

InChI

InChI=1S/C7H5FN2/c8-7-3-6(10)2-1-5(7)4-9/h1-3H,10H2

InChIKey

FDUGOYTWYJZNNP-UHFFFAOYSA-N

SMILES

C(#N)C1=CC=C(N)C=C1F

Safety Information

Hazard Codes 

Xi

HazardClass 

IRRITANT

HS Code 

2926907090

4-AMINO-2-FLUOROBENZONITRILE Usage And Synthesis

Chemical Properties

Off-white crystalline

Synthesis

4-Amino-2-fluorobenzonitrile is an organic intermediate that can be prepared by the reaction of 4-bromo-3-fluoroaniline with Zn(CN)2.

References

[1] Journal of Medicinal Chemistry, 2001, vol. 44, # 23, p. 3856 - 3871
[2] Patent: WO2010/9183, 2010, A1. Location in patent: Page/Page column 84
[3] Patent: WO2006/124118, 2006, A1. Location in patent: Page/Page column 75
[4] Patent: WO2008/157162, 2008, A1. Location in patent: Page/Page column 145
[5] Patent: WO2006/36024, 2006, A1. Location in patent: Page/Page column 153

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