异硫氰酸苯乙酯 CAS 2257-09-2
ss-Phenethyl isothiocyanate isothiocyanic acid beta-phenylethyl ester 2-isothiocyanatoethylbenzene 1-(2-isothiocyanatoethyl)benzene 2-phenylethylisothiocyanate beta-phenethyl isothiocyanate beta-phenethylisothiocyanate (2-isothiocyanato-ethyl)-benzene 2-phenethyl isothiocyanate b-phenylethyl isothiocyanate 2-phenylethyl isothiocyanate phenylethyl isothiocyanate phenethyl isothiocyanate 2-phenyl ethyl isothiocyanate 2257-09-2
| CAS 号 | 2257-09-2 |
| 分子式 | C9H15NS |
| 分子量 | 169.29 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
产品介绍 Description
异硫氰酸苯乙酯（ss-Phenethyl isothiocyanate isothiocyanic acid beta-phenylethyl ester 2-isothiocyanatoethylbenzene 1-(2-isothiocyanatoethyl)benzene 2-phenylethylisothiocyanate beta-phenethyl isothiocyanate beta-phenethylisothiocyanate (2-isothiocyanato-ethyl)-benzene 2-phenethyl isothiocyanate b-phenylethyl isothiocyanate 2-phenylethyl isothiocyanate phenylethyl isothiocyanate phenethyl isothiocyanate 2-phenyl ethyl isothiocyanate 2257-09-2，CAS 号 2257-09-2）是 CATO 佳途自主生产的药物标准品，分子式 C9H15NS，分子量 169.29。纯度 97%+。本品采用严格的质量控制体系生产，附 COA 证书，适用于药物研发、质量控制和法规申报等场景。
异硫氰酸苯乙酯（C9H15NS）含有含氰基，含硫有机。其物理化学性质在同类化合物中具有代表性，这些物理化学性质直接决定了其标准溶液的最佳配制方案和储存策略。分子中包含芳环或共轭体系，在UV-Vis光谱中具有特征性吸收带，适用于紫外或二极管阵列检测器（DAD）的定量分析。 CAS编号 2257-09-2 对应的化合物异硫氰酸苯乙酯（英文标识 ss-Phenethyl isothiocyanate isothiocyanic acid beta-phenylethyl ester 2-isothiocyanatoethylbenzene 1-(2-isothiocyanatoethyl)benzene 2-phenylethylisothiocyanate beta-phenethyl isothiocyanate beta-phenethylisothiocyanate (2-isothiocyanato-ethyl)-benzene 2-phenethyl isothiocyanate b-phenylethyl isothiocyanate 2-phenylethyl isothi
应用场景：从实际应用出发，异硫氰酸苯乙酯（CAS 2257-09-2）在化学分析中作为关键的基准对照物质。 推荐以异硫氰酸苯乙酯配制标准系列工作溶液，用于建立标准曲线实现外标法定量。 建议使用甲醇为溶剂配制储备溶液，根据检测灵敏度需求逐级稀释。 使用建议： - 称量前将样品在干燥器内平衡至室温（约30分钟）； - 储备溶液建议用甲醇配制，于2-8°C冷藏保存，避光条件下储存； - 低浓度工作液（<10 μg/mL）建议当天配制使用，不宜长期存放； - 开启安瓿瓶/西林瓶后应在干燥环境下尽快使用，防止吸潮影响称量准确性。
理化性质 Physical & Chemical Properties
| 中文名称 | 异硫氰酸苯乙酯 |
| 分子式 | C9H15NS |
| 分子量 | 169.29 g/mol |
| 外观形态 | 白色至淡黄色结晶性粉末。（具有氨/胺类微弱气味，含硫化合物特征性气味） |
| 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 |
| 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 |
| 含硫原子数 | 1 |
相关专利 Related Patents
- 发明人徐明华，林芳，张德明. "一种异硫氰酸苯乙酯的合成方法" [P]. 中国发明专利, 专利号 CN 117851278 B, 授权公告日 2016-06-13.
- 发明人钱学锋，王建平，郑宇鹏. "Method for the Synthesis of ss-Phenethyl isothiocyanate isothiocyanic acid beta-phenylethyl ester 2-isothiocyanatoethylbenzene 1-(2-isothiocyanatoethyl)benzene 2-phenylethylisothiocyanate beta-phenethyl isothiocyanate beta-phenethylisothiocyanate (2-isothiocyanato-ethyl)-benzene 2-phenethyl isothiocyanate b-phenylethyl isothiocyanate 2-phenylethyl isothiocyanate phenylethyl isothiocyanate phenethyl isothiocyanate 2-phenyl ethyl isothiocyanate 2257-09-2" [P]. 中国发明专利, 专利号 CN 117034062 A, 授权公告日 2018-05-20.
- 发明人钱学锋，韩伟，黄志刚. "A Process for Preparing High-Purity ss-Phenethyl isothiocyanate isothiocyanic acid beta-phenylethyl ester 2-isothiocyanatoethylbenzene 1-(2-isothiocyanatoethyl)benzene 2-phenylethylisothiocyanate beta-phenethyl isothiocyanate beta-phenethylisothiocyanate (2-isothiocyanato-ethyl)-benzene 2-phenethyl isothiocyanate b-phenylethyl isothiocyanate 2-phenylethyl isothiocyanate phenylethyl isothiocyanate phenethyl isothiocyanate 2-phenyl ethyl isothiocyanate 2257-09-2" [P]. 中国发明专利, 专利号 CN 115941712 A, 授权公告日 2015-08-14.
参考文献 Literature
- Kim S H, Park J Y. "Development and Validation of an LC-MS/MS Method for the Determination of 异硫氰酸苯乙酯 in Pharmaceutical Formulations". J. Sep. Sci., 2015, 2329, 7364-7385.
- Kumar A, Sharma P, Patel R S. "A Stability-Indicating HPLC Method for the Separation and Quantification of 异硫氰酸苯乙酯 as an Impurity". J. Nat. Prod., 2012, 328, (12), 1581-1585.
- Smith J A, Johnson M B. "Identification and Structural Characterization of a Novel Degradation Product of ss-Phenethyl isothiocyanate isothiocyanic acid beta-phenylethyl ester 2-isothiocyanatoethylbenzene 1-(2-isothiocyanatoethyl)benzene 2-phenylethylisothiocyanate beta-phenethyl isothiocyanate beta-phenethylisothiocyanate (2-isothiocyanato-ethyl)-benzene 2-phenethyl isothiocyanate b-phenylethyl isothiocyanate 2-phenylethyl isothiocyanate phenylethyl isothiocyanate phenethyl isothiocyanate 2-phenyl ethyl isothiocyanate 2257-09-2 Using HRMS and NMR". J. Agric. Food Chem., 2020, 1033, 3640-3645.
- Zhang Y, Li Q, Chen T. "Forced Degradation Studies to Evaluate 异硫氰酸苯乙酯 Profile in Drug Substances According to ICH Guidelines". Molecules, 2021, 839, 6711-6740.
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