1123-61-1

• 常用中文名：2,3-二氯-N-甲基马来酰亚胺顺丁烯二酰亚胺
• 常用英文名：3,4-Dichloro-1-methyl-1H-pyrrole-2,5-dione
• CAS号：1123-61-1
• 分子式：C₅H₃Cl₂NO₂
• 分子量：179.989
• 发布时间：2018-12-03 06:54:06
• 更新时间：2024-01-08 17:43:18

名称

• 中文名: 2,3-二氯-N-甲基马来酰亚胺顺丁烯二酰亚胺
• 英文名: 3,4-dichloro-1-methylpyrrole-2,5-dione
• 中文别名: 2,3-二氯-N-甲基马来酰亚胺
• 英文别名: Dichloro-N-methylmaleimide; N-Methyldichloromaleimide; 1H-Pyrrole-2,5-dione, 3,4-dichloro-1-methyl-; 2,3-Dichlor-N-methylmaleinimid; 3,4-Dichloro-1-methyl-1H-pyrrole-2,5-dione; 2,3-Dichloro-N-methylmaleinimide; Maleimide,dichloro-N-methyl; 3,4-dichloro-N-methylmaleimide; 3,4-dichloro-1-methylmaleimide; N-Methyl-3,4-dichloromaleimide; 2,3,5-TRINITROTOLUENE; n-Methyl-dichloromaleinimide; N-Methyl-2,3-dichloromaleimide; 2,3-Dichloro-N-methylmaleimide

物化性质

• 密度: 1.6±0.1 g/cm3
• 沸点: 205.7±40.0 °C at 760 mmHg
• 分子式: C₅H₃Cl₂NO₂
• 分子量: 179.989
• 闪点: 78.2±27.3 °C
• 精确质量: 178.954086
• PSA: 37.38000
• LogP: 0.71
• 蒸汽压: 0.2±0.4 mmHg at 25°C
• 折射率: 1.576
• 分子结构:

  1、 摩尔折射率：36.38

  2、 摩尔体积（cm³/mol）：109.9

  3、 等张比容（90.2K）：295.2

  4、 表面张力（dyne/cm）：51.9

  5、 极化率（10-24cm3）：14.42

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.2

  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:0

  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:10

  8.表面电荷:0

  9.复杂度:222

  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 : ON5200000 CHEMICAL NAME : Maleimide, 2,3-dichloro-N-methyl- CAS REGISTRY NUMBER : 1123-61-1 BEILSTEIN REFERENCE NO. : 0127988 LAST UPDATED : 199612 DATA ITEMS CITED : 3 MOLECULAR FORMULA : C5-H3-Cl2-N-O2 MOLECULAR WEIGHT : 179.99 WISWESSER LINE NOTATION : T5VNVJ B1 DG EG HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 4 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 37,15,1976 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 10 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#03682 ** REPRODUCTIVE DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal DOSE : 3100 ug/kg SEX/DURATION : female 9 day(s) after conception TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - other developmental abnormalities Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) REFERENCE : ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 37,15,1976

安全

• 海关编码: 2925190090

合成路线

1122-17-4 593-51-1 ~77% 1123-61-1

文献：Delarue-Cochin, Sandrine; McCort-Tranchepain, Isabelle Organic and Biomolecular Chemistry, 2009 , vol. 7, # 4 p. 706 - 716

1122-17-4 ~% 1123-61-1

文献：Eli Lilly and Company Patent: US5859261 A1, 1999 ;

1122-17-4 74-89-5 ~55% 1123-61-1

文献：Slater, Martin J.; Cockerill, Stuart; Baxter, Robert; Bonser, Robert W.; Gohil, Kam; Gowrie, Clare; Robinson, J. Edward; Littler, Edward; Parry, Nigel; Randall, Roger; Snowden, Wendy Bioorganic and Medicinal Chemistry, 1999 , vol. 7, # 6 p. 1067 - 1074

930-88-1 ~% 1123-61-1

文献：Brisse, Francois; Atfani, Mohamed; Bergeron, Jean-Yves; Belanger-Gariepy, Francine; Armand, Michel Acta Crystallographica Section C: Crystal Structure Communications, 2000 , vol. 56, # 2 p. 190 - 192

上下游产品

上游产品  4
1122-17-4 593-51-1 74-89-5 930-88-1
下游产品  1
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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%