110579-04-9

• 常用中文名：3-[3-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl ]sulfanylpropanenitrile
• 常用英文名：3-[3-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl ]sulfanylpropanenitrile
• CAS号：110579-04-9
• 分子式：C₁₅H₁₅N₅O₅S
• 分子量：377.37500
• 发布时间：2017-06-25 15:25:14
• 更新时间：2025-09-20 12:39:58

名称

• 英文名: 3-[3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfanylpropanenitrile
• 英文别名: Propanenitrile,3-((1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio); 3-((1-((4-Methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)propanenitrile

物化性质

• 密度: 1.45g/cm3
• 沸点: 645.1ºC at 760mmHg
• 分子式: C₁₅H₁₅N₅O₅S
• 分子量: 377.37500
• 闪点: 343.9ºC
• 精确质量: 377.07900
• PSA: 167.78000
• LogP: 4.11698
• 蒸汽压: 1.57E-16mmHg at 25°C
• 折射率: 1.659

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : TZ4890000 CHEMICAL NAME : Propanenitrile, 3-((1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-ni tro-1H-imidazol-5-yl) thio)- CAS REGISTRY NUMBER : 110579-04-9 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C15-H15-N5-O5-S MOLECULAR WEIGHT : 377.41 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 2500 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 21,403,1987

合成路线

542-76-7 77952-64-8 ~86% 110579-04-9

文献：Iradyan, M. A.; Ayvazyan, A. Kh.; Mirzoyan, V. S.; Paronikyan, G. M.; Sarkisyan, T. P.; et al. Pharmaceutical Chemistry Journal, 1987 , vol. 21, # 6 p. 403 - 408 Khimiko-Farmatsevticheskii Zhurnal, 1987 , vol. 21, # 6 p. 667 - 672

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