54778-21-1

• 常用中文名：2-氯-N-甲基-3-吲哚醛肟
• 常用英文名：1H-Indole-3-carboxylic acid, 2-chloro-1-methyl-
• CAS号：54778-21-1
• 分子式：C₁₀H₈ClNO₂
• 分子量：209.62900
• 发布时间：2018-04-18 08:00:00
• 更新时间：2024-01-13 15:19:09

名称

• 中文名: 2-氯-N-甲基-3-吲哚醛肟
• 英文名: 2-chloro-1-methylindole-3-carboxylic acid
• 中文别名: 2-氯-1-甲基-1H-吲哚-3-羧酸
• 英文别名: 2-Chloro-1-methyl-1,3-benzodiazole; 2-Chloro-1-methyl-1H-benzoimidazole; 1-methyl-2-chloroindole-3-carboxylic acid; 1-methyl-2-chlorobenzimidazole; 2-chloro-1-methyl-1H-benzimidazole; 2-chloro-1-methyl-benzimidazole; 1-methyl-2-chlorobenzoimidazole; 2-Chlor-1-methylindol-3-carbonsaeure; 1-methyl-2-chloro-1H-benzoimidazole; 2-chloro-1-methyl-1H-indole-3-carboxylic acid; 2-chloro-N-methylbenzimidazole; 2-chloro-1-methyl-indole-3-carboxylic acid

物化性质

• 密度: 1.39g/cm3
• 沸点: 407.7ºC at 760 mmHg
• 分子式: C₁₀H₈ClNO₂
• 分子量: 209.62900
• 闪点: 200.4ºC
• 精确质量: 209.02400
• PSA: 42.23000
• LogP: 2.52990
• 折射率: 1.631

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : NL5998501 CHEMICAL NAME : 1H-Indole-3-carboxylic acid, 2-chloro-1-methyl- CAS REGISTRY NUMBER : 54778-21-1 BEILSTEIN REFERENCE NO. : 0476383 LAST UPDATED : 199612 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C10-H8-Cl-N-O2 MOLECULAR WEIGHT : 209.64 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : >500 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 20,1344,1977 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : >500 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 20,1344,1977

合成路线

24279-74-1 ~80% 54778-21-1

文献：Showalter, H. D. Hollis; Sercel, Anthony D.; Leja, Boguslawa M.; Wolfangel, Craig D.; Ambroso, Linda A.; Elliott, William L.; Fry, David W.; Kraker, Alan J.; Howard, Curtis T.; Lu, Gina H.; Moore, Charles W.; Nelson, James M.; Roberts, Bill J.; Vincent, Patrick W.; Denny, William A.; Thompson, Andrew M. Journal of Medicinal Chemistry, 1997 , vol. 40, # 4 p. 413 - 426

61-70-1 ~% 54778-21-1

文献：Showalter, H. D. Hollis; Sercel, Anthony D.; Leja, Boguslawa M.; Wolfangel, Craig D.; Ambroso, Linda A.; Elliott, William L.; Fry, David W.; Kraker, Alan J.; Howard, Curtis T.; Lu, Gina H.; Moore, Charles W.; Nelson, James M.; Roberts, Bill J.; Vincent, Patrick W.; Denny, William A.; Thompson, Andrew M. Journal of Medicinal Chemistry, 1997 , vol. 40, # 4 p. 413 - 426

5059-30-3 ~% 54778-21-1

文献：Showalter, H. D. Hollis; Sercel, Anthony D.; Leja, Boguslawa M.; Wolfangel, Craig D.; Ambroso, Linda A.; Elliott, William L.; Fry, David W.; Kraker, Alan J.; Howard, Curtis T.; Lu, Gina H.; Moore, Charles W.; Nelson, James M.; Roberts, Bill J.; Vincent, Patrick W.; Denny, William A.; Thompson, Andrew M. Journal of Medicinal Chemistry, 1997 , vol. 40, # 4 p. 413 - 426

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