对甲苯异氰酸酯 CAS 622-58-2

622-58-2 4-tolyl isocyanate TMI para-tolyl monoisocyanate p-TMI 4-Tol-NCO Isocyanic acid, p-tolyl ester p-tolylmonoisocyanate PTI 4-Isocyanatotoluene 4-Methylphenyl isocyanate p-Isocyanatotoluene p-Methylphenyl isocyanate p-Toluene isocyanate p-Tolyl isocyanate 1-isocyanato-4-methylbenzene CHEBI:53732

纯度 97%+现货药物标准品
CAS 号622-58-2
分子式C8H13NO
分子量139.19 g/mol
分类药物标准品 / 原料药标准品
库存状态现货

化学结构式 Structure

对甲苯异氰酸酯 622-58-2 4-tolyl isocyanate TMI para-tolyl monoisocyanate p-TMI 4-Tol-NCO Isocyanic acid, p-tolyl ester p-tolylmonoisocyanate PTI 4-Isocyanatotoluene 4-Methylphenyl isocyanate p-Isocyanatotoluene p-Methylphenyl isocyanate p-Toluene isocyanate p-Tolyl isocyanate 1-isocyanato-4-methylbenzene CHEBI:53732 CAS 622-58-2 结构式 Chemical Structure

产品介绍 Description

对甲苯异氰酸酯（英文名 622-58-2 4-tolyl isocyanate TMI para-tolyl monoisocyanate p-TMI 4-Tol-NCO Isocyanic acid, p-tolyl ester p-tolylmonoisocyanate PTI 4-Isocyanatotoluene 4-Methylphenyl isocyanate p-Isocyanatotoluene p-Methylphenyl isocyanate p-Toluene isocyanate p-Tolyl isocyanate 1-isocyanato-4-methylbenzene CHEBI:53732，CAS 622-58-2）属于药物标准品。分子式 C8H13NO，分子量 139.19。纯度 97%+。佳途科技作为 ISO 17034 认可的标准物质生产商，为该产品提供完整的质量文件与技术支持。

从化学结构特征来看，对甲苯异氰酸酯的分子骨架中包含酰胺类，含羟基，含醚键。该化合物的不饱和度为3.0，表明结构中存在约3个环或双键等价单元。分子量为139.19 g/mol，属于低分子量化合物。含氮官能团的存在使该化合物在ESI正离子模式下具有优良的离子化效率，适合LC-MS/MS分析。 化学式为 C8H13NO 的对甲苯异氰酸酯（622-58-2 4-tolyl isocyanate TMI para-tolyl monoisocyanate p-TMI 4-Tol-NCO Isocyanic acid, p-tolyl ester p-tolylmonoisocyanate PTI 4-Isocyanatotoluene 4-Methylphenyl isocyanate p-Isocyanatotoluene p-Methylphenyl isocyanate p-Toluene isocyanate p-Tolyl isocyanate 1-isocyanato-4-methylbenzene CHEBI:53732），其CAS登记号是 622-58-2，分子量为 139.1

应用场景：针对化学分析用途，对甲苯异氰酸酯（622-58-2 4-tolyl isocyanate TMI para-tolyl monoisocyanate p-TMI 4-Tol-NCO Isocyanic acid, p-tolyl ester p-tolylmonoisocyanate PTI 4-Isocyanatotoluene 4-Methylphenyl isocyanate p-Isocyanatotoluene p-Methylphenyl isocyanate p-Toluene isocyanate p-Tolyl isocyanate 1-isocyanato-4-methyl

理化性质 Physical & Chemical Properties

中文名称对甲苯异氰酸酯
分子式C8H13NO
分子量139.19 g/mol
外观形态白色至淡黄色液体。（具有氨/胺类微弱气味）
纯度97%+
储存条件2-8°C冷藏保存，避光
溶解性参考可溶于甲醇、乙腈、DMSO、水（微溶）
稳定性对光敏感，应避免强光直射
化合物类型药物标准品
子类原料药标准品
不饱和度（DBE）3.0
UV特征有紫外吸收
CAS登记年份（估）1957年
含氮原子数1

相关专利 Related Patents

  1. Davis P L, Chen K W, Schröder R. "一种对甲苯异氰酸酯的合成方法" [P]. US Patent, US 11194142 B2, 2015-09-04.
  2. 发明人王建平，胡光，何建平. "Method for the Synthesis of 622-58-2 4-tolyl isocyanate TMI para-tolyl monoisocyanate p-TMI 4-Tol-NCO Isocyanic acid, p-tolyl ester p-tolylmonoisocyanate PTI 4-Isocyanatotoluene 4-Methylphenyl isocyanate p-Isocyanatotoluene p-Methylphenyl isocyanate p-Toluene isocyanate p-Tolyl isocyanate 1-isocyanato-4-methylbenzene CHEBI:53732" [P]. 中国发明专利, 专利号 CN 114875935 B, 授权公告日 2017-03-28.
  3. Nowak P, Lefèvre J P, Nielsen H. "A Process for Preparing High-Purity 622-58-2 4-tolyl isocyanate TMI para-tolyl monoisocyanate p-TMI 4-Tol-NCO Isocyanic acid, p-tolyl ester p-tolylmonoisocyanate PTI 4-Isocyanatotoluene 4-Methylphenyl isocyanate p-Isocyanatotoluene p-Methylphenyl isocyanate p-Toluene isocyanate p-Tolyl isocyanate 1-isocyanato-4-methylbenzene CHEBI:53732" [P]. European Patent, EP 3628538 A1, 2025-12-20.

参考文献 Literature

  1. Wang L, Li J, Zhang H. "Development and Validation of an LC-MS/MS Method for the Determination of 对甲苯异氰酸酯 in Pharmaceutical Formulations". Rapid Commun. Mass Spectrom., 2023, 2415, 6774-6787.
  2. Kowalski T, Nowak Z. "A Stability-Indicating HPLC Method for the Separation and Quantification of 对甲苯异氰酸酯 as an Impurity". J. Pharm. Biomed. Anal., 2019, 458, (10), 7094-7113.
  3. Kowalski T, Nowak Z. "Identification and Structural Characterization of a Novel Degradation Product of 622-58-2 4-tolyl isocyanate TMI para-tolyl monoisocyanate p-TMI 4-Tol-NCO Isocyanic acid, p-tolyl ester p-tolylmonoisocyanate PTI 4-Isocyanatotoluene 4-Methylphenyl isocyanate p-Isocyanatotoluene p-Methylphenyl isocyanate p-Toluene isocyanate p-Tolyl isocyanate 1-isocyanato-4-methylbenzene CHEBI:53732 Using HRMS and NMR". Chemosphere, 2019, 2458, (8), 4709-4721.

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