2-Amino-6-fluorobenzonitrile
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Product Description
2-Amino-6-fluorobenzonitrile is a versatile compound that belongs to the class of fluoro-substituted aminobenzonitriles. It is a substituted benzonitrile derivative, featuring a cyano group (–CN) attached to the benzene ring, an amino group (–NH₂) at the 2-position, and a fluorine atom at the 6-position. The benzene ring has a nitrile group (-C≡N) at position 1, with the amino group (-NH2) at position 2 and a fluorine substituent at position 6. This arrangement places the amino and nitrile groups ortho to each other and para to the fluorine relative to the nitrile, depending on the numbering scheme. The presence of these functional groups—amino (–NH₂), fluoro (–F), and nitrile (–CN)—endows the compound with significant functional reactivity, making it a valuable intermediate in the synthesis of pharmaceuticals and agrochemicals.
Uses
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Pharmaceutical Intermediate: Used in the synthesis of tacrine-related compounds, antifolate and antibacterial quinazoline derivatives, bis(4-oxoquinazolin-2-yl)pyridine, fluoro-containing quinazolin-4(1H)-ones, and novel huprines such as various tetrahydro-methanocycloocta[b]quinoline hydrochlorides with isopropyl or allyl substituents.
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Pesticide Intermediate: Used in the synthesis of 2,6-dibromoaniline and the drug dovitinib.
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Other Applications: Used in the synthesis of fluorescent probes, agricultural chemicals, and advanced materials.
Properties
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Molecular Formula: C7H5FN2
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Molecular Weight: 136.13 g/mol
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CAS Number: 77326-36-4
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Physical Appearance: White to pale yellow crystalline powder
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Melting Point: 125-128°C
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Boiling Point: 275.8±25.0°C
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Flash Point: 64.2°C
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Density: Approximately 1.25 g/cm³
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Vapor Pressure: 0.805 mmHg (25°C)
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Refractive Index: 1.3991
Safety and Hazards
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Signal Word: Warning
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Hazard Classifications: Eye Irritation Category 2
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GHS Pictograms: Exclamation mark (irritant)
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Precautionary Statements: Wear protective gloves, eye shields, and a dust mask (N95 type in the US).
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Storage: Refrigerate at 2-8°C; classified as a combustible solid (Storage Class 11).
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WGK Germany: 2 (moderately hazardous to water)