Description

5-Amino-2-fluorobenzonitrile (CAS No. 53312-81-5) is a high-purity fluorinated aromatic compound with the molecular formula C₇H₅FN₂. This fine chemical is characterized by its amino and cyano functional groups attached to a fluorinated benzene ring, making it a versatile intermediate for pharmaceutical, agrochemical, and materials science research. Its precise molecular structure (IUPAC name: 5-amino-2-fluorobenzonitrile) ensures consistent reactivity in nucleophilic substitution and cross-coupling reactions. Available in ≥98% purity (HPLC/GC), it is supplied as a crystalline solid with strict quality control to meet the demands of advanced synthetic applications. Store under inert conditions at 2-8°C to maintain stability.

Properties

• CAS Number: 53312-81-5
• Complexity: 160
• IUPAC Name: 5-amino-2-fluoro-benzonitrile
• InChI: InChI=1S/C7H5FN2/c8-7-2-1-6(10)3-5(7)4-9/h1-3H,10H2
• InChI Key: HHTRAISBAAXRKZ-UHFFFAOYSA-N
• Exact Mass: 136.04367633
• Molecular Formula: C7H5FN2
• Molecular Weight: 136.13
• SMILES: C1=CC(=C(C=C1N)C#N)F
• Topological: 49.8
• Monoisotopic Mass: 136.04367633
• Synonyms: 5-Amino-2-fluorobenzonitrile, 53312-81-5, DTXSID10967918, DTXCID901395512, 627-747-0, 3-Cyano-4-fluoroaniline, 2-fluoro-5-aminobenzonitrile, Benzonitrile, 5-amino-2-fluoro-, 5-Amino-2-fluoro-benzonitrile, MFCD00277872, 4-fluoro-3-cyanoaniline, SCHEMBL145984, CHEMBL4580748, 5-amino-2-fluorobenzenecarbonitrile, 5-Amino-2-fluorobenzonitrile, 97%, BBL100260, SBB064176, STL169015, AKOS005063928, AC-4019, CS-W019977, DS-0893, PS-9111, SB75398, SY010154, EN300-61857, Z975767062

Application

5-Amino-2-fluorobenzonitrile serves as a key building block in the synthesis of fluorinated heterocycles and active pharmaceutical ingredients (APIs), particularly in kinase inhibitor development. Its electron-withdrawing cyano group and nucleophilic amino group enable participation in palladium-catalyzed couplings and cyclization reactions. Researchers utilize this compound in the design of fluorescent probes due to its aromatic fluorophore properties. It also finds use in crop protection chemical research as a precursor for herbicidal compounds.

Safety and Hazards

GHS Hazard Statements

• H302 (14.9%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (10.6%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H315 (95.7%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (83%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (14.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (10.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Precautionary Statements

• P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (14.9%)
• Acute Tox. 3 (10.6%)
• Skin Irrit. 2 (95.7%)
• Eye Dam. 1 (83%)
• Eye Irrit. 2 (14.9%)
• Acute Tox. 4 (10.6%)

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