Description

2,3,5-Trifluorobenzonitrile (CAS No. 241154-09-6) is a high-purity fluorinated aromatic nitrile compound with the molecular formula C₇H₂F₃N. This specialty chemical is characterized by its trifluorinated benzene ring and a nitrile functional group, making it a valuable intermediate in organic synthesis and pharmaceutical research. With exceptional stability and reactivity, it is ideal for nucleophilic substitution reactions, cross-coupling reactions, and as a precursor for agrochemicals, liquid crystals, and advanced materials. Available in >98% purity (GC), it is supplied in sealed containers under inert gas to ensure longevity and performance. Suitable for use in HPLC, LC-MS, and NMR applications.

Properties

• CAS Number: 241154-09-6
• Complexity: 185
• IUPAC Name: 2,3,5-trifluorobenzonitrile
• InChI: InChI=1S/C7H2F3N/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2H
• InChI Key: MMPKVFQMDMBXSG-UHFFFAOYSA-N
• Exact Mass: 157.01393355
• Molecular Formula: C7H2F3N
• Molecular Weight: 157.09
• SMILES: C1=C(C=C(C(=C1C#N)F)F)F
• Topological: 23.8
• Monoisotopic Mass: 157.01393355
• Synonyms: 2,3,5-Trifluorobenzonitrile, 241154-09-6, DTXSID10380325, DTXCID50331351, 671-909-3, MFCD00083539, 2,3,5-trifluorobenzenecarbonitrile, Benzonitrile, 2,3,5-trifluoro-, SCHEMBL1996117, SCHEMBL17110605, CK2156, SBB064379, AKOS006230008, CS-W017979, AS-19065, DA-18200, SY025750, ST50824619, T2369

Application

2,3,5-Trifluorobenzonitrile is widely used as a key building block in pharmaceutical synthesis, particularly for fluorinated drug candidates targeting CNS and anticancer therapies. Its electron-withdrawing properties enhance reactivity in Pd-catalyzed cross-coupling reactions, such as Suzuki-Miyaura and Buchwald-Hartwig aminations. The compound also serves as a precursor for liquid crystal materials and agrochemicals due to its thermal stability and structural rigidity.

Safety and Hazards

GHS Hazard Statements

• H301 (28.6%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302 (57.1%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (14.3%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H312 (57.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (85.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H331 (14.3%): 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. 3 (14.3%)
• Skin Irrit. 2 (85.7%)
• Eye Irrit. 2 (85.7%)
• Acute Tox. 3 (14.3%)
• 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.