Description

4-Amino-3-(trifluoromethyl)benzonitrile (CAS No. 327-74-2) is a high-purity organic compound with the molecular formula C₈H₅F₃N₂. This versatile chemical features a trifluoromethyl (-CF₃) group and an amino (-NH₂) substitution on a benzonitrile scaffold, making it an excellent building block for pharmaceutical, agrochemical, and materials science applications. Its unique structure enables participation in nucleophilic aromatic substitution (S_NAr), palladium-catalyzed cross-coupling reactions, and other transformations. Supplied as a crystalline solid with ≥98% purity (HPLC), this compound is rigorously tested for consistency and stability. Ideal for researchers developing fluorinated bioactive molecules or advanced materials. Store under inert atmosphere at 2-8°C.

Properties

• CAS Number: 327-74-2
• Complexity: 227
• IUPAC Name: 4-amino-3-(trifluoromethyl)benzonitrile
• InChI: InChI=1S/C8H5F3N2/c9-8(10,11)6-3-5(4-12)1-2-7(6)13/h1-3H,13H2
• InChI Key: MWLZJOBGDXBMBP-UHFFFAOYSA-N
• Exact Mass: 186.04048265
• Molecular Formula: C8H5F3N2
• Molecular Weight: 186.13
• SMILES: C1=CC(=C(C=C1C#N)C(F)(F)F)N
• Topological: 49.8
• Monoisotopic Mass: 186.04048265
• Synonyms: 4-amino-3-(trifluoromethyl)benzonitrile, 675-039-5, 327-74-2, 4-AMINO-3-TRIFLUOROMETHYLBENZONITRILE, 2-Amino-5-cyanobenzotrifluoride, MFCD00275473, 2-trifluoromethyl-4-cyanoaniline, 4-amino-3-(trifluoromethyl)benzenecarbonitrile, 4-Cyano-2-(trifluoromethyl)aniline, Benzonitrile, 4-amino-3-(trifluoromethyl)-, Benzonitrile, 4-amino-3-(trifluoromethyl)-; m-Tolunitrile, 4-amino-a,a,a-trifluoro- (6CI,8CI); 2-Amino-5-cyanobenzotrifluoride; 2-Trifluoromethyl-4-cyanoaniline; 3-Trifluoromethyl-4-aminobenzonitrile; 4-Cyano-2-trifluoromethylaniline, SCHEMBL568905, DTXSID70381459, CL8205, SBB063343, 4-amino-3-trifluoromethyl-benzonitrile, AKOS001304324, AC-1090, CS-W016921, PS-8478, NCGC00336303-01, 4-amino-3-(trifluoromethyl)benzoni-trile, SY018407, DB-023896, DB-227238, A2644, ST50408267, EN300-24523, AB01129918-03, Z198766668, 4-Amino-3-trifluoromethylbenzonitrile 2-Amino-5-cyanobenzotrifluoride

This compound serves as a key intermediate in the synthesis of trifluoromethyl-substituted heterocycles for drug discovery programs targeting CNS disorders and anticancer agents. The electron-withdrawing -CF₃ group enhances metabolic stability in lead compounds, while the reactive amino and cyano groups enable further functionalization. In materials science, it’s used to prepare fluorinated liquid crystals and OLED materials. The compound has shown utility in constructing PET radiotracer precursors due to its favorable pharmacokinetic properties.

Safety and Hazards

GHS Hazard Statements

• H301+H311+H331 (14.3%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
• H301 (28.6%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302 (71.4%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (28.6%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H312 (57.1%): 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]
• H331 (28.6%): Toxic if inhaled [Danger Acute toxicity, inhalation]
• H332 (57.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (71.4%): 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. 3 (28.6%)
• Acute Tox. 4 (71.4%)
• Acute Tox. 3 (28.6%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 3 (28.6%)
• STOT SE 3 (71.4%)

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