Description

2-Amino-4-(trifluoromethyl)benzonitrile (CAS: 1483-54-1) is a high-purity organic compound with the molecular formula C₈H₅F₃N₂. This specialized chemical features a benzonitrile core substituted with an amino group and a trifluoromethyl group at the 2- and 4-positions, respectively, making it a valuable building block in pharmaceutical and agrochemical synthesis. Its unique trifluoromethyl group enhances lipophilicity and metabolic stability, while the amino and nitrile functionalities offer versatile reactivity for further derivatization. Supplied as a crystalline solid with ≥98% purity (HPLC), it is rigorously tested for consistency in batch-to-batch performance. Ideal for researchers developing fluorinated heterocycles, kinase inhibitors, or crop protection agents. Packaged under inert gas in amber glass vials to ensure stability, with optional bulk quantities available for scale-up studies.

Properties

• CAS Number: 1483-54-1
• Complexity: 227
• IUPAC Name: 2-amino-4-(trifluoromethyl)benzonitrile
• InChI: InChI=1S/C8H5F3N2/c9-8(10,11)6-2-1-5(4-12)7(13)3-6/h1-3H,13H2
• InChI Key: IAIRNHIXDCZUCV-UHFFFAOYSA-N
• Exact Mass: 186.04048265
• Molecular Formula: C8H5F3N2
• Molecular Weight: 186.13
• SMILES: C1=CC(=C(C=C1C(F)(F)F)N)C#N
• Topological: 49.8
• Monoisotopic Mass: 186.04048265
• Synonyms: 2-Amino-4-(trifluoromethyl)benzonitrile, 1483-54-1, 216-047-7, einecs 216-047-7, 2-amino-4-trifluoromethylbenzonitrile, 3-Amino-4-cyanobenzotrifluoride, Benzonitrile, 2-amino-4-(trifluoromethyl)-, MFCD04974124, 2-Cyano-5-(trifluoromethyl)aniline, 2-Amino-4-trifluoromethyl-benzonitrile, SCHEMBL463600, 2-cyano-5-trifluoromethylaniline, 4-trifluoromethyl anthranilonitrile, 4-(Trifluoromethyl)anthranilonitrile, BBL103673, CL8144, SBB063007, STL557483, AKOS005256026, AC-2320, CS-W016920, DS-0983, SY030148, DB-005922, A2648, NS00044215, 2-amino-4-(trifluoromethyl)benzenecarbonitrile

This compound serves as a key intermediate in the synthesis of trifluoromethylated bioactive molecules, particularly in medicinal chemistry for protease inhibitor development. Its electron-withdrawing trifluoromethyl group is leveraged to modulate the pharmacokinetic properties of lead compounds. The nitrile moiety allows further transformations into amides, tetrazoles, and other nitrogen-containing heterocycles. Applications extend to materials science as a precursor for fluorinated liquid crystals and OLED materials.

Safety and Hazards

GHS Hazard Statements

• H301+H311+H331 (50%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
• H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (50%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]
• H317 (33.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H331 (50%): Toxic if inhaled [Danger Acute toxicity, inhalation]
• H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (50%)
• Acute Tox. 4 (33.3%)
• Acute Tox. 3 (50%)
• Skin Irrit. 2 (66.7%)
• Skin Sens. 1 (33.3%)
• Eye Irrit. 2A (66.7%)
• Acute Tox. 3 (50%)
• STOT SE 3 (50%)

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