Description

3-Fluorophenyl isocyanate (CAS No. 404-71-7) is a highly reactive organic compound with the molecular formula C₇H₄FNO. This specialized chemical, also known by its IUPAC name 1-fluoro-3-isocyanatobenzene, is widely used in organic synthesis and pharmaceutical research. The presence of both an isocyanate group and a fluorine atom on the aromatic ring makes it a valuable building block for the preparation of fluorinated ureas, carbamates, and other derivatives.

Our product is rigorously tested for purity and stability, ensuring optimal performance in demanding applications. It is supplied in sealed containers under inert atmosphere to prevent moisture absorption and degradation. Suitable for use in medicinal chemistry, material science, and agrochemical research, this compound offers researchers a versatile tool for introducing fluorinated phenyl groups into target molecules.

Key Specifications:
– CAS Number: 404-71-7
– Molecular Weight: 137.11 g/mol
– Appearance: Clear colorless to pale yellow liquid
– Purity: ≥95% (GC)
– Storage: Store at 2-8°C under inert atmosphere

Properties

• CAS Number: 404-71-7
• Complexity: 154
• IUPAC Name: 1-fluoro-3-isocyanato-benzene
• InChI: InChI=1S/C7H4FNO/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
• InChI Key: RIKWVZGZRYDACA-UHFFFAOYSA-N
• Exact Mass: 137.027691913
• Molecular Formula: C7H4FNO
• Molecular Weight: 137.11
• SMILES: C1=CC(=CC(=C1)F)N=C=O
• Topological: 29.4
• Monoisotopic Mass: 137.027691913
• Synonyms: 3-Fluorophenyl isocyanate, 404-71-7, m-Fluorophenyl isocyanate, Benzene, 1-fluoro-3-isocyanato-, EINECS 206-966-1, DTXSID20193403, DTXCID90115894, rikwvzgzrydaca-uhfffaoysa-n, 1-Fluoro-3-isocyanatobenzene, 3-Fluorophenylisocyanate, m-fluorophenylisocyanate, 3-fluorobenzenisocyanate, Isocyanic Acid 3-Fluorophenyl Ester, MFCD00002015, UQY8BHX3TB, 3-fluoro-phenylisocyanate, 3-fluorophenyl-isocyanate, 3-fluoro phenyl isocyanate, 3-fluoro-phenyl isocyanate, 3-fluoro-isocyanato-benzene, 1-isocyanato-3-fluorobenzene, SCHEMBL115285, 1-fluoro-3-isocyanato-benzene, 1-isocyanato-3-fluoro benzene, 1-Fluoro-3-isocyanatobenzene #, 3-Fluorophenyl isocyanate, 97%, BBL104421, GEO-01422, SBB048876, STK504615, AKOS000167530, BP-12857, PS-10305, DB-049595, I0554, ST50947303, EN300-51933

Application

3-Fluorophenyl isocyanate serves as a key intermediate in pharmaceutical synthesis, particularly for creating fluorinated bioactive compounds. It reacts readily with amines to form urea derivatives, which are important scaffolds in drug discovery. The compound is also valuable in materials science for modifying polymers and creating specialty coatings. Its fluorine substitution pattern makes it particularly useful for developing compounds with enhanced metabolic stability and membrane permeability.

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.