Description

4-Tolyl Isocyanate (CAS No. 622-58-2) is a high-purity aromatic isocyanate compound with the molecular formula C₈H₇NO, also known by its IUPAC name 1-isocyanato-4-methylbenzene. This versatile organic intermediate is widely utilized in chemical synthesis, particularly in the production of pharmaceuticals, agrochemicals, and specialty polymers. Our product is rigorously tested to ensure optimal purity and consistency, making it ideal for research and industrial applications. Available in various quantities, this reagent is packaged under inert conditions to maintain stability and shelf life. Suitable for use in urethane formation, cross-linking reactions, and as a building block for advanced materials. Handle with care in a well-ventilated environment, as it is moisture-sensitive and may react vigorously with nucleophiles.

Properties

• CAS Number: 622-58-2
• Complexity: 141
• IUPAC Name: 1-isocyanato-4-methyl-benzene
• InChI: InChI=1S/C8H7NO/c1-7-2-4-8(5-3-7)9-6-10/h2-5H,1H3
• InChI Key: MGYGFNQQGAQEON-UHFFFAOYSA-N
• Exact Mass: 133.052763847
• Molecular Formula: C8H7NO
• Molecular Weight: 133.15
• SMILES: CC1=CC=C(C=C1)N=C=O
• Topological: 29.4
• Monoisotopic Mass: 133.052763847
• Synonyms: p-Tolyl isocyanate, 4-Tolyl isocyanate, 4-Methylphenyl isocyanate, Benzene, 1-isocyanato-4-methyl-, p-tolylmonoisocyanate, para-tolyl isocyanate, p-TMI, 4-Tol-NCO, para-tolyl monoisocyanate, tolyl mono-isocyanate, EINECS 210-743-4, BTR9S4N53V, CHEBI:53732, AI3-28256, 4-Isocyanato-1-methylbenzene, DTXSID2060755, EC 210-743-4, Isocyanic acid, p-tolyl ester (7CI,8CI), DTXCID4043270, 210-743-4, mgygfnqqgaqeon-uhfffaoysa-n, 622-58-2, 1-Isocyanato-4-methylbenzene, p-tolylisocyanate, p-Toluene isocyanate, p-Isocyanatotoluene, 4-Isocyanatotoluene, p-Methylphenyl isocyanate, 1-isocyanato-4-methyl-benzene, Isocyanic acid, p-tolyl ester, 374675-64-6, Isocyanic Acid p-Tolyl Ester, TMI, 4-methylbenzenisocyanate, 1-Isocyanato-4-methylbenzene; 4-Isocyanatotoluene, PTI, p-Tolyl isocyanat, 4-methylphenylisocyanate, MFCD00002029, 4-Tolylisocyanate, p-tolyl-isocyanate, paratoluylisocyanate, para-tolylisocyanate, 4-methyphenylisocyanate, p-methylphenylisocyanate, paramethylphenylisocyanate, 4-methyl phenyl isocyanate, 4-methyl-phenyl-isocyanate, Epitope ID:116221, p-Tolyl isocyanate, 99%, UNII-BTR9S4N53V, SCHEMBL93286, SCHEMBL2005750, SCHEMBL9679092, SCHEMBL9680467, ALBB-021369, SBB061737, STL299671, AKOS000202531, FT03457, MS-20631, DB-054110, NS00007324, ST51047719, T0321, EN300-20864, D92322, A833679, Q26840811, F2190-0548

Application

4-Tolyl Isocyanate is commonly employed as a key intermediate in the synthesis of carbamate and urea derivatives, which are pivotal in pharmaceutical and agrochemical development. It serves as a reactive precursor in polyurethane production, contributing to coatings, adhesives, and elastomers with enhanced thermal and chemical resistance. Researchers also utilize it in organic transformations, such as the formation of amides and heterocyclic compounds, due to its high reactivity with amines and alcohols.

Safety and Hazards

GHS Hazard Statements

• H302 (99.1%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (37.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H314 (57.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H315 (42.2%): Causes skin irritation [Warning Skin corrosion/irritation]
• H317 (57.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H318 (57.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (42.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H330 (60.6%): Fatal if inhaled [Danger Acute toxicity, inhalation]
• H332 (37.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H334 (43.1%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H400 (56.9%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
• H410 (33.9%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
• H411 (22.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P233, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P363, P391, P403, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (99.1%)
• Acute Tox. 4 (37.6%)
• Skin Corr. 1C (57.8%)
• Skin Irrit. 2 (42.2%)
• Skin Sens. 1 (57.8%)
• Eye Dam. 1 (57.8%)
• Eye Irrit. 2 (42.2%)
• Acute Tox. 1 (60.6%)
• Acute Tox. 4 (37.6%)
• Resp. Sens. 1 (43.1%)
• STOT SE 3 (100%)
• Aquatic Acute 1 (56.9%)
• Aquatic Chronic 1 (33.9%)
• Aquatic Chronic 2 (22.9%)

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.