Description

3-Fluoro-2-methylphenyl isocyanate (CAS: 60221-81-0) is a highly reactive organic compound with the molecular formula C₈H₆FNO. This aromatic isocyanate is a valuable building block in organic synthesis, particularly in the production of pharmaceuticals, agrochemicals, and specialty polymers. Its unique structure, featuring a fluorine substituent and a methyl group on the phenyl ring, enhances its reactivity and selectivity in nucleophilic addition reactions. The compound is supplied as a clear to pale yellow liquid with a pungent odor and must be handled under inert conditions due to its sensitivity to moisture. Suitable for researchers and industrial chemists, this product is rigorously tested for purity (≥97%) and consistency, ensuring reliable performance in advanced chemical applications. Store in a cool, dry place away from light and moisture to maintain stability.

Properties

• CAS Number: 60221-81-0
• Complexity: 177
• IUPAC Name: 1-fluoro-3-isocyanato-2-methyl-benzene
• InChI: InChI=1S/C8H6FNO/c1-6-7(9)3-2-4-8(6)10-5-11/h2-4H,1H3
• InChI Key: OXJRWBPYWYAGNW-UHFFFAOYSA-N
• Exact Mass: 151.043341977
• Molecular Formula: C8H6FNO
• Molecular Weight: 151.14
• SMILES: CC1=C(C=CC=C1F)N=C=O
• Topological: 29.4
• Monoisotopic Mass: 151.043341977
• Synonyms: 3-fluoro-2-methylphenyl isocyanate, 622-326-8, 60221-81-0, 1-Fluoro-3-isocyanato-2-methylbenzene, 1-Fluoro-3-isocyanato-2-methyl-benzene, MFCD07779361, BENZENE, 1-FLUORO-3-ISOCYANATO-2-METHYL-, SCHEMBL3551283, DTXSID10497164, OXJRWBPYWYAGNW-UHFFFAOYSA-N, 3-fluoro-2-methyl-phenylisocyanate, ALBB-021386, BBL100051, GEO-01412, STL511025, AKOS005257644, MS-20716, SY081284, 3-Fluoro-2-methylphenyl isocyanate, 97%, DB-226220, D82906, EN300-272525

3-Fluoro-2-methylphenyl isocyanate is widely used as an intermediate in the synthesis of ureas, carbamates, and other nitrogen-containing heterocycles. It serves as a key reagent in pharmaceutical research for developing bioactive molecules with potential therapeutic applications. The compound is also employed in material science for modifying polymer backbones to enhance thermal and chemical resistance. Due to its reactivity, it is commonly utilized in peptide coupling and crosslinking reactions. Proper safety measures, including the use of gloves and fume hoods, are essential when handling this compound.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (97.6%): 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 (100%)
• Acute Tox. 4 (100%)
• Skin Irrit. 2 (97.6%)
• Eye Irrit. 2A (97.6%)
• Acute Tox. 4 (100%)
• STOT SE 3 (97.6%)

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.