| Identification | Back Directory | [Name]
4-AMINO-2-FLUOROBENZONITRILE | [CAS]
53312-80-4 | [Synonyms]
Fluoro-4-amino-benzonitrile
4-Amino-2-fluorobenzonitrile
Benzonitrile, 4-amino-2-fluoro- | [Molecular Formula]
C7H5FN2 | [MDL Number]
MFCD07368709 | [MOL File]
53312-80-4.mol | [Molecular Weight]
136.13 |
| Chemical Properties | Back Directory | [Melting point ]
103-105° | [Boiling point ]
288.2±25.0 °C(Predicted) | [density ]
1.25±0.1 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,2-8°C | [form ]
crystalline solid | [pka]
0.71±0.10(Predicted) | [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 |
| Hazard Information | Back Directory | [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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