Description

2-Amino-3-fluorobenzonitrile (CAS: 115661-37-5) is a high-purity fluorinated aromatic compound with the molecular formula C₇H₅FN₂. This fine chemical is widely utilized as a key intermediate in pharmaceutical synthesis, agrochemical development, and advanced material research. The presence of both amino and cyano functional groups on the fluorinated benzene ring makes this compound particularly valuable for nucleophilic substitution reactions and heterocyclic synthesis. Our product is supplied as an off-white to light yellow crystalline powder with ≥98% purity (HPLC), ensuring optimal performance in demanding applications. Proper storage conditions (2-8°C in sealed containers) maintain the compound’s stability and reactivity. Suitable for research and manufacturing applications under GMP conditions.

Properties

• CAS Number: 115661-37-5
• Complexity: 160
• IUPAC Name: 2-amino-3-fluoro-benzonitrile
• InChI: InChI=1S/C7H5FN2/c8-6-3-1-2-5(4-9)7(6)10/h1-3H,10H2
• InChI Key: UNISSOLHERSZOW-UHFFFAOYSA-N
• Exact Mass: 136.04367633
• Molecular Formula: C7H5FN2
• Molecular Weight: 136.13
• SMILES: C1=CC(=C(C(=C1)F)N)C#N
• Topological: 49.8
• Monoisotopic Mass: 136.04367633
• Synonyms: 2-Amino-3-fluorobenzonitrile, 115661-37-5, DTXSID00382631, DTXCID30333656, 688-594-3, Benzonitrile, 2-amino-3-fluoro-, MFCD07368774, 2-Cyano-6-fluoroaniline, SCHEMBL691794, SCHEMBL8882232, UNISSOLHERSZOW-UHFFFAOYSA-N, 2-amino-3-fluorobenzenecarbonitrile, CL8137, SBB064297, AKOS005063982, AC-2313, CS-W005616, FA67712, PS-9112, SY016518, DB-005918, EN300-245740, 2-Cyano-6-fluoroaniline, 3-Fluoroanthranilonitrile

2-Amino-3-fluorobenzonitrile serves as a versatile building block in medicinal chemistry, particularly for developing kinase inhibitors and CNS-active compounds. The fluorine substitution pattern enables selective functionalization for creating diverse heterocyclic scaffolds. Researchers employ this intermediate in Suzuki-Miyaura coupling reactions to construct biaryl systems common in drug discovery. Its unique electronic properties also make it valuable for developing advanced materials with tailored optoelectronic characteristics.

Safety and Hazards

GHS Hazard Statements

• H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
• H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (25%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H312 (75%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H331 (25%): Toxic if inhaled [Danger Acute toxicity, inhalation]
• H332 (75%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (75%)
• Acute Tox. 4 (75%)
• Skin Irrit. 2 (75%)
• Eye Irrit. 2A (75%)
• Acute Tox. 4 (75%)
• STOT SE 3 (75%)

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