4067-01-0

• 常用中文名：1-(2-甲基苯基)-1H-吡咯-2,5-二酮
• 常用英文名：1-o-tolyl-pyrrole-2,5-dione
• CAS号：4067-01-0
• 分子式：C₁₁H₉NO₂
• 分子量：187.19500
• 发布时间：2018-12-27 21:20:15
• 更新时间：2024-01-02 15:36:59

名称

• 中文名: 1-(2-甲基苯基)-1H-吡咯-2,5-二酮
• 英文名: 1-(2-methylphenyl)pyrrole-2,5-dione
• 中文别名: N-(邻甲苯基)马来酰亚胺
• 英文别名: MFCD00022567; 1-(2-methylphenyl)maleimide; MALEIMIDE,N-o-TOLYL; 1-(2-methylphenyl)-1H-pyrrole-2,5-dione; 1-o-Tolyl-pyrrole-2,5-dione; N-(2-methylphenyl)maleimide; N-(o-tolyl)maleimide; N-2-Tolylmaleimide; N-(o-Methylphenyl)maleimide

物化性质

• 密度: 1.277g/cm3
• 沸点: 311.4ºC at 760mmHg
• 分子式: C₁₁H₉NO₂
• 分子量: 187.19500
• 闪点: 139.3ºC
• 精确质量: 187.06300
• PSA: 37.38000
• LogP: 1.48940
• 折射率: 1.615
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:2

  4.可旋转化学键数量:1

  5.互变异构体数量:无

  6.拓扑分子极性表面积37.4

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:278

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : ON6300000 CHEMICAL NAME : Maleimide, N-o-tolyl- CAS REGISTRY NUMBER : 4067-01-0 BEILSTEIN REFERENCE NO. : 0135040 LAST UPDATED : 199712 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C11-H9-N-O2 MOLECULAR WEIGHT : 187.21 WISWESSER LINE NOTATION : T5VNVJ BR B1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 250 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,22,1953 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 50 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,22,1953

安全

• 危害码 (欧洲): Xi
• 海关编码: 2925190090

合成路线

53616-19-6 ~% 4067-01-0

文献：Sortino; Garibotto; Cechinel Filho; Gupta; Enriz; Zacchino Bioorganic and Medicinal Chemistry, 2011 , vol. 19, # 9 p. 2823 - 2834

108-31-6 95-53-4 ~30% 4067-01-0

文献：Canadell, Judit; Fischer, Hartmut; De With, Gijsbertus; Van Benthem, Rolf A. T. M. Journal of Polymer Science, Part A: Polymer Chemistry, 2010 , vol. 48, # 15 p. 3456 - 3467

95-53-4 ~% 4067-01-0

文献：Yoshitake, Yasuyuki; Misaka, Junichi; Setoguchi, Koji; Abe, Masaki; Kawaji, Tomohiro; Eto, Masashi; Harano, Kazunobu Journal of the Chemical Society. Perkin Transactions 2, 2002 , # 9 p. 1611 - 1619

37902-59-3 ~% 4067-01-0

文献：Patil, Sambhaji V.; Mahale, Keshao A.; Gosavi, Kirankumar S.; Deshmukh, Ganesh B.; Patil, Nilesh S. Organic Preparations and Procedures International, 2013 , vol. 45, # 4 p. 314 - 320

3052-50-4 95-53-4 ~% 4067-01-0

文献：Kumar, Padam Praveen; Reddy, Y. Dathu; Kumari, Y. Bharathi; Devi, B. Rama; Dubey Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2014 , vol. 53, # 4 p. 392 - 398

72889-88-4 ~% 4067-01-0

文献：Kumar, Padam Praveen; Rama Devi; Dubey Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2013 , vol. 52, # 8 p. 1166 - 1171

67-56-1 53616-19-6 ~% 4067-01-0

文献：Balasubramaniyan, V.; Bhatia, V. G.; Wagh, S. B. Tetrahedron, 1983 , vol. 39, # 9 p. 1475 - 1485

上下游产品

上游产品  7
53616-19-6 108-31-6 95-53-4 37902-59-3
3052-50-4 72889-88-4 67-56-1
下游产品  0

海关

海关编码	2925190090
中文概述	2925190090 其他酰亚胺及其衍生物盐. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2925190090 other imides and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%