Description

5-Fluoro-o-tolyl isocyanate (CAS No. 67191-93-9) is a high-purity aromatic isocyanate compound with the molecular formula C₈H₆FNO. This specialized chemical, also known by its IUPAC name 4-fluoro-2-isocyanato-1-methylbenzene, is widely utilized in organic synthesis and pharmaceutical research due to its reactive isocyanate functional group. Our product is rigorously tested for purity and stability, ensuring optimal performance in demanding applications. Available in various quantities, it is packaged under inert conditions to maintain integrity. Ideal for researchers requiring precise fluorinated building blocks for heterocycle formation, polymer modification, or medicinal chemistry.

Properties

• CAS Number: 67191-93-9
• Complexity: 177
• IUPAC Name: 4-fluoro-2-isocyanato-1-methyl-benzene
• InChI: InChI=1S/C8H6FNO/c1-6-2-3-7(9)4-8(6)10-5-11/h2-4H,1H3
• InChI Key: KRAMFLATTKXGOW-UHFFFAOYSA-N
• Exact Mass: 151.043341977
• Molecular Formula: C8H6FNO
• Molecular Weight: 151.14
• SMILES: CC1=C(C=C(C=C1)F)N=C=O
• Topological: 29.4
• Monoisotopic Mass: 151.043341977
• Synonyms: 5-Fluoro-2-methylphenyl isocyanate, 4-fluoro-2-isocyanato-1-methylbenzene, 5-Fluoro-o-tolyl isocyanate, DS77UTC4UG, Benzene, 4-fluoro-2-isocyanato-1-methyl-, EINECS 266-602-2, DTXSID90217448, DTXCID90139939, 266-602-2, 67191-93-9, 5-Fluoro-2-methylphenylisocyanate, MFCD00037072, UNII-DS77UTC4UG, SCHEMBL1022418, 5-fluoro-2-methylbenzenisocyanate, SBB086762, AKOS009157157, AS-40463, SY109889, 5-Fluoro-2-methylphenyl isocyanate, 98%, DB-073843, NS00053444, EN300-147123

Application

5-Fluoro-o-tolyl isocyanate serves as a key intermediate in the synthesis of fluorinated ureas, carbamates, and other pharmacologically active compounds. It is particularly valuable in the development of agrochemicals and pharmaceutical candidates targeting CNS disorders. The compound’s reactivity with amines and alcohols enables efficient derivatization for structure-activity relationship studies.

Safety and Hazards

GHS Hazard Statements

• H302 (92.9%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (92.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (95.2%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (95.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (92.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (95.2%): 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 (92.9%)
• Acute Tox. 4 (92.9%)
• Skin Irrit. 2 (95.2%)
• Eye Irrit. 2 (95.2%)
• Acute Tox. 4 (92.9%)
• STOT SE 3 (95.2%)

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