Description

2-Fluorophenyl isocyanate (CAS No. 16744-98-2) is a highly reactive aromatic isocyanate with the molecular formula C₇H₄FNO. This specialized chemical compound, also known as 1-fluoro-2-isocyanatobenzene, is widely utilized in organic synthesis and pharmaceutical research due to its electrophilic isocyanate group. The presence of a fluorine atom at the ortho position enhances its reactivity and selectivity in nucleophilic addition reactions. Our product is synthesized under stringent quality control measures, ensuring high purity (>98%) and consistency for demanding applications. Supplied in moisture-free packaging to prevent premature hydrolysis, this compound is ideal for use in the development of ureas, carbamates, and other nitrogen-containing heterocycles. Suitable for researchers in medicinal chemistry, material science, and agrochemical development.

Properties

• CAS Number: 16744-98-2
• Complexity: 154
• IUPAC Name: 1-fluoro-2-isocyanato-benzene
• InChI: InChI=1S/C7H4FNO/c8-6-3-1-2-4-7(6)9-5-10/h1-4H
• InChI Key: VZNCSZQPNIEEMN-UHFFFAOYSA-N
• Exact Mass: 137.027691913
• Molecular Formula: C7H4FNO
• Molecular Weight: 137.11
• SMILES: C1=CC=C(C(=C1)N=C=O)F
• Topological: 29.4
• Monoisotopic Mass: 137.027691913
• Synonyms: 2-Fluorophenyl isocyanate, 16744-98-2, Benzene, 1-fluoro-2-isocyanato-, o-Fluorophenyl isocyanate, EINECS 240-804-0, DTXSID70168287, Isocyanic acid o-fluorophenyl ester, DTXCID8090778, 240-804-0, vzncszqpnieemn-uhfffaoysa-n, 1-Fluoro-2-isocyanatobenzene, 2-FLUOROPHENylisoCYANATE, 1-Fluoro-2-isocyanato-benzene, 2-fluorobenzenisocyanate, Isocyanic Acid 2-Fluorophenyl Ester, MFCD00001996, 2-flurophenylisocyanate, o-fluorophenylisocyanate, 2-fluoropheyl isocyanate, 2-fluorophenyl-isocyanate, 2-fluoro phenyl isocyanate, SCHEMBL93162, 1-isocyanato-2-fluorobenzene, 2-fluoro-1-isocyanatobenzene, 2-fluoro-1-isocyanato benzene, 2-fluoro-1-isocyanato-benzene, 1-Fluoro-2-isocyanatobenzene #, SCHEMBL17593328, SCHEMBL28017959, 2-Fluorophenyl isocyanate, 97%, 1-fluoranyl-2-isocyanato-benzene, ALBB-007535, GEO-02699, SBB054883, STK504604, AKOS000119376, BP-12957, LS-02810, DB-021143, I0338, NS00052415, ST51047711, EN300-20456, D91128, A810871, F1945-0013

Application

2-Fluorophenyl isocyanate serves as a key intermediate in the synthesis of pharmaceuticals, particularly in the development of urea-based bioactive molecules. It is employed in polymer chemistry as a crosslinking agent for polyurethane and polyurea formulations. Researchers also utilize this compound to introduce fluorinated phenyl groups into target molecules, enhancing metabolic stability and lipophilicity in drug discovery.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
• H301 (13%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302 (87%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (87%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H330 (10.9%): Fatal if inhaled [Danger Acute toxicity, inhalation]
• H332 (87%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H334 (10.9%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
• H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (100%)
• Acute Tox. 3 (13%)
• Acute Tox. 4 (87%)
• Acute Tox. 4 (87%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 2 (10.9%)
• Acute Tox. 4 (87%)
• Resp. Sens. 1 (10.9%)
• STOT SE 3 (97.8%)

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