Description

p-(Trifluoromethoxy)phenyl isocyanate (CAS No. 35037-73-1) is a high-purity aromatic isocyanate compound with the molecular formula C₈H₄F₃NO₂. This specialized chemical is widely utilized in organic synthesis, pharmaceuticals, and advanced material research due to its reactive isocyanate functional group and trifluoromethoxy substituent. The compound is characterized by its clear to pale yellow appearance and should be stored under inert conditions to prevent moisture absorption and degradation. With an IUPAC name of 1-isocyanato-4-(trifluoromethoxy)benzene, it is a valuable building block for ureas, carbamates, and other nitrogen-containing heterocycles. Our product is rigorously tested for purity and consistency, ensuring optimal performance in sensitive applications. Available in various quantities, it is packaged in sealed glass containers under nitrogen to maintain stability.

Properties

• CAS Number: 35037-73-1
• Complexity: 227
• IUPAC Name: 1-isocyanato-4-(trifluoromethoxy)benzene
• InChI: InChI=1S/C8H4F3NO2/c9-8(10,11)14-7-3-1-6(2-4-7)12-5-13/h1-4H
• InChI Key: LGPKFIGMLPDYEA-UHFFFAOYSA-N
• Exact Mass: 203.01941286
• Molecular Formula: C8H4F3NO2
• Molecular Weight: 203.12
• SMILES: C1=CC(=CC=C1N=C=O)OC(F)(F)F
• Topological: 38.7
• Monoisotopic Mass: 203.01941286
• Synonyms: 4-(Trifluoromethoxy)phenyl isocyanate, 35037-73-1, Benzene, 1-isocyanato-4-(trifluoromethoxy)-, p-(Trifluoromethoxy)phenyl isocyanate, EINECS 252-328-0, DTXSID1067883, EC 252-328-0, DTXCID3038933, 252-328-0, 1-Isocyanato-4-(trifluoromethoxy)benzene, 4-trifluoromethoxyphenylisocyanate, 4-(Trifluoromethoxy)phenylisocyanate, 1-Isocyanato-4-trifluoromethoxy-benzene, MFCD00035702, C8H4F3NO2, Isocyanic Acid 4-(Trifluoromethoxy)phenyl Ester, 4-(trifluoromethoxy)benzenisocyanate, SCHEMBL180952, p-trifluoromethoxyphenyl isocyanate, 4-trifluoromethoxy-phenylisocyanate, 4-trifluoromethoxyphenyl isocyanate, 4-trifluoromethoxy-phenyl isocyanate, SBB063245, 1-isocyanato-4-trifluoromethoxybenzene, 4-(trifluoromethoxy)-phenyl isocyanate, AKOS005063774, p-(trifluoromethoxy)-phenyl isocyanate, AC-9801, FT00399, 1-Isocyanato-4-(trifluoromethoxy)-benzene, 1-Isocyanato-4-(trifluoromethoxy)benzene #, DB-026149, 4-(Trifluoromethoxy)phenyl isocyanate, 98%, NS00002524, ST50825501, T2487, D92603, EN300-117964

Application

p-(Trifluoromethoxy)phenyl isocyanate is primarily used as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty polymers. Its reactive isocyanate group enables facile conjugation with amines and alcohols to form ureas and carbamates, respectively. The trifluoromethoxy moiety enhances lipophilicity and metabolic stability, making it valuable in drug discovery. Additionally, it serves as a crosslinking agent in polyurethane and polyurea coatings, contributing to durability and chemical resistance. Researchers also employ it in the development of advanced materials with tailored surface properties.

Safety and Hazards

GHS Hazard Statements

• H302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (83%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (93.6%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (93.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (91.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H334 (10.6%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
• H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (97.9%)
• Acute Tox. 4 (83%)
• Skin Irrit. 2 (93.6%)
• Eye Irrit. 2A (93.6%)
• Acute Tox. 4 (91.5%)
• Resp. Sens. 1 (10.6%)
• STOT SE 3 (97.9%)

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