Description

2-Fluoro-4-methylbenzonitrile (CAS No. 85070-67-3) is a high-purity fluorinated aromatic nitrile compound with the molecular formula C₈H₆FN. This specialized chemical is designed for advanced research and industrial applications, particularly in pharmaceuticals, agrochemicals, and materials science. Its unique structure, featuring a fluorine substituent at the 2-position and a methyl group at the 4-position of the benzonitrile ring, makes it a valuable intermediate for synthesizing complex molecules. The compound is rigorously tested for quality, ensuring optimal performance in coupling reactions, nucleophilic substitutions, and other synthetic transformations. Available in various quantities, it is supplied with detailed analytical data (including GC/MS, NMR, and HPLC) to meet stringent research and production requirements.

Properties

• CAS Number: 85070-67-3
• Complexity: 158
• IUPAC Name: 2-fluoro-4-methyl-benzonitrile
• InChI: InChI=1S/C8H6FN/c1-6-2-3-7(5-10)8(9)4-6/h2-4H,1H3
• InChI Key: WCGNLBCJPBKXCN-UHFFFAOYSA-N
• Exact Mass: 135.048427358
• Molecular Formula: C8H6FN
• Molecular Weight: 135.14
• SMILES: CC1=CC(=C(C=C1)C#N)F
• Topological: 23.8
• Monoisotopic Mass: 135.048427358
• Synonyms: 2-Fluoro-4-methylbenzonitrile, 85070-67-3, DTXSID40380934, DTXCID70331959, 678-781-8, 4-Cyano-3-fluorotoluene, 2-fluoro-4-methyl-benzonitrile, MFCD03094311, BENZONITRILE, 2-FLUORO-4-METHYL-, 2-fluoro-4-methylbenzenecarbonitrile, 4-Methyl-2-fluorobenzonitrile, 2-Fluoro-p-tolunitrile, SCHEMBL30985, SCHEMBL518869, WCGNLBCJPBKXCN-UHFFFAOYSA-N, BCP24584, AB2851, SBB064084, AKOS006229602, AC-4080, CS-W009184, PS-9122, SY016337, DB-005242, F0884, EN300-61850, Z972601888

Application

2-Fluoro-4-methylbenzonitrile serves as a versatile building block in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Its electron-withdrawing nitrile group and fluorine substituent enhance reactivity in cross-coupling reactions, such as Suzuki-Miyaura or Buchwald-Hartwig couplings. Researchers also utilize it to introduce fluorinated motifs into bioactive compounds, improving metabolic stability and binding affinity. In materials science, it acts as a precursor for liquid crystals and specialty polymers.

Safety and Hazards

GHS Hazard Statements

• H301+H311+H331 (16.7%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
• H301 (16.7%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (16.7%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H312 (83.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (16.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H331 (33.3%): Toxic if inhaled [Danger Acute toxicity, inhalation]
• H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (83.3%): 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, P305+P354+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 (16.7%)
• Acute Tox. 4 (83.3%)
• Acute Tox. 3 (16.7%)
• Acute Tox. 4 (83.3%)
• Skin Irrit. 2 (83.3%)
• Eye Dam. 1 (16.7%)
• Eye Irrit. 2 (83.3%)
• Acute Tox. 3 (33.3%)
• STOT SE 3 (83.3%)

If you are interested or have any questions, please contact us at support@atomfair.com

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