Description

3-Amino-2-fluorobenzonitrile (CAS No. 873697-68-8) is a high-purity fluorinated aromatic compound with the molecular formula C₇H₅FN₂. This fine chemical features both an amino (-NH₂) and a cyano (-CN) functional group ortho to a fluorine substituent, making it a versatile building block for pharmaceutical and agrochemical synthesis. The compound is supplied as an off-white to light yellow crystalline powder with ≥95% purity (HPLC).

Key applications include use as an intermediate in Suzuki coupling reactions, palladium-catalyzed cross-couplings, and as a precursor for fluorinated heterocycles. The electron-withdrawing cyano group and fluorine atom create unique electronic properties ideal for structure-activity relationship studies. Proper storage conditions are 2-8°C in a tightly sealed container under inert atmosphere.

Technical specifications include: Molecular Weight: 136.13 g/mol, Melting Point: 92-96°C, Density: 1.29 g/cm³. This product is for research use only, not for human or veterinary use.

Properties

• CAS Number: 873697-68-8
• Complexity: 160
• IUPAC Name: 3-amino-2-fluoro-benzonitrile
• InChI: InChI=1S/C7H5FN2/c8-7-5(4-9)2-1-3-6(7)10/h1-3H,10H2
• InChI Key: BFGCKEHSFRPNRZ-UHFFFAOYSA-N
• Exact Mass: 136.04367633
• Molecular Formula: C7H5FN2
• Molecular Weight: 136.13
• SMILES: C1=CC(=C(C(=C1)N)F)C#N
• Topological: 49.8
• Monoisotopic Mass: 136.04367633
• Synonyms: 3-amino-2-fluorobenzonitrile, 873697-68-8, DTXSID70654630, DTXCID30605380, 868-239-0, 3-Cyano-2-fluoroaniline, 3-Amino-2-fluoro-benzonitrile, MFCD08062434, Benzonitrile, 3-amino-2-fluoro-, amino-fluoro benzonitrile, SCHEMBL663487, SCHEMBL8880934, SCHEMBL8880937, BFGCKEHSFRPNRZ-UHFFFAOYSA-N, XH1322, AKOS006285224, AB43380, AS-42284, SY010214, DB-348023, A21006, EN300-399136, Z1198175911

Application

3-Amino-2-fluorobenzonitrile serves as a key synthetic intermediate for fluorinated pharmaceutical compounds, particularly in kinase inhibitor development. The compound’s unique substitution pattern enables selective functionalization at multiple positions for structure-activity optimization. Researchers utilize this building block in medicinal chemistry programs targeting CNS disorders and oncology applications. The fluorine atom enhances metabolic stability while the amino and cyano groups provide handles for further derivatization.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 4 (100%)
• STOT SE 3 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.