Description

4-Fluoro-3-methylbenzonitrile (CAS: 185147-08-4) is a high-purity fluorinated aromatic nitrile compound with the molecular formula C₈H₆FN. This fine chemical is extensively utilized in pharmaceutical, agrochemical, and material science research due to its versatile reactivity as a building block. Its structure features a fluorine atom and a nitrile group on a methyl-substituted benzene ring, enabling applications in nucleophilic substitution reactions, cross-coupling reactions, and as a precursor for heterocyclic synthesis. Available in >98% purity (HPLC/GC), it is supplied in sealed packaging under inert conditions to ensure stability. Ideal for researchers developing novel bioactive molecules, liquid crystals, or advanced polymers. MSDS and analytical certificates (COA) are provided for compliance and safety.

Properties

• CAS Number: 185147-08-4
• Complexity: 158
• IUPAC Name: 4-fluoro-3-methyl-benzonitrile
• InChI: InChI=1S/C8H6FN/c1-6-4-7(5-10)2-3-8(6)9/h2-4H,1H3
• InChI Key: ZMEAHKIIWJDJFT-UHFFFAOYSA-N
• Exact Mass: 135.048427358
• Molecular Formula: C8H6FN
• Molecular Weight: 135.14
• SMILES: CC1=C(C=CC(=C1)C#N)F
• Topological: 23.8
• Monoisotopic Mass: 135.048427358
• Synonyms: 4-Fluoro-3-methylbenzonitrile, 185147-08-4, DTXSID60381307, DTXCID40332332, 676-406-2, MFCD03788510, 3-methyl-4-fluorobenzonitrile, BENZONITRILE, 4-FLUORO-3-METHYL-, 4-fluoro-3-methyl-benzonitrile, 4-fluoro-3-methylbenzenecarbonitrile, 4-Fluoro-m-tolunitrile, SCHEMBL532567, 3-methyl-4-fluoro-benzonitrile, SCHEMBL16618901, ZMEAHKIIWJDJFT-UHFFFAOYSA-N, SBB063636, STL451488, AKOS005063605, AC-1172, CS-W003101, FF64154, GS-3395, SY006995, DB-005354, F0986, EN300-14797

4-Fluoro-3-methylbenzonitrile serves as a key intermediate in the synthesis of pharmaceuticals, particularly in the development of kinase inhibitors and CNS-active compounds. Its nitrile group allows for further functionalization into amides, carboxylic acids, or tetrazoles, while the fluorine enhances metabolic stability in drug candidates. In agrochemical research, it is employed to create herbicidal and fungicidal derivatives. Additionally, its rigid aromatic core makes it valuable in material science for designing liquid crystals and photoactive polymers.

Safety and Hazards

GHS Hazard Statements

• H302+H312+H332 (11.1%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
• H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (88.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (88.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (88.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (44.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

• Acute Tox. 4 (88.9%)
• Acute Tox. 4 (88.9%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (88.9%)
• Acute Tox. 4 (88.9%)
• STOT SE 3 (44.4%)

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