1-(4-甲基苯基)-1H-吡咯-2,5-二酮

1-(4-甲基苯基)-1H-吡咯-2,5-二酮 基本信息
CAS号 1631-28-3 分子式 C11H9NO2
分子量 187.19500 精确质量  187.06300
PSA  37.38000 LogP  1.48940

基本信息 展开↓

CAS号:
1631-28-3
3D弹球模型:
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分子式:
C11H9NO2
分子量:
187.19500
中文名称:
1-(4-甲基苯基)-1H-吡咯-2,5-二酮
英文名称:
1-(4-METHYLPHENYL)-1H-PYRROLE-2,5-DIONE
中文别名:
1-(4-甲基苯基)-1H-吡咯-2,5-二酮;
1-P-苯甲基-吡咯-2,5-二酮;
ASISCHEM D13289;
1-CYCLOHEXYL-PYRROLE-2,5-DIONE;
1-CYCLOHEXYL-1H-PYRROLE-2,5-DIONE;
AKOS MSC-0038;
N-Cyclohexylmaleinimide;
N-Cyclohexyl maleimide;
N-Cyclohexylmaleimide;
5-(3,4-dimethylphenyl)-3-(prop-2-en-1-yl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one;
2-chloro-7-methoxy-4-methylquinoline;
ethyl 2-amino-4-(furan-2-yl)thiophene-3-carboxylate;
methyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate;
5-(furan-2-yl)-3-(prop-2-en-1-yl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one;
2-hydrazinyl-4-methylquinoline;
methyl 2-amino-4-(2-chlorophenyl)thiophene-3-carboxylate;
5-phenyl-3-(prop-2-en-1-yl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one;
5-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazole-3(2;
4-Phenoxybenzenesulphonyl chloride;
二甘醇单(2-乙己基)醚;
二甘醇一(2-乙己基)醚;
二甘醇(2-乙己基)醚;
2-乙己基卡必醇;
2-{(2-[(2-乙基己基)氧基]乙氧基}乙醇;
一缩二乙二醇单(2-乙基已基)醚;
一缩二乙二醇一(2-乙基已基)醚;
二乙二醇单辛醚
英文别名:
1-(4-METHYLPHENYL)-1H-PYRROLE-2,5-DIONE;
Maleimide,N-p-Tolyl;
N-4-Tolylmaleimide;
IT 510;
p-Tolylmaleimide;
n-p-tolyl-maleimid
精确分子量/精确质量:
187.06300
极性分子表面积/PSA:
37.38000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
InChI=1/C11H9NO2/c1-8-2-4-9(5-3-8)12-10(13)6-7-11(12)14/h2-7H,1H3

物化性质展开↓

密度:
1.277g/cm3
沸点:
333.2ºC at 760mmHg
闪点:
154.2ºC
折射率:
1.615
蒸汽压:
0.000139mmHg at 25°C

安全信息展开↓

海关代码:
2925190090
危险标志:
Xi: Irritant;

合成路线查看所有的合成路线

  • 24870-11-9

    Maleanilic acid, p-methyl-

  • ~99%

  • 1631-28-3

    1-(4-甲基苯基)-1H-吡咯-2,5-二酮

  • 108-31-6

    马来酸酐

  • +

  • 106-49-0

    对甲苯胺

  • ~94%

  • 1631-28-3

    1-(4-甲基苯基)-1H-吡咯-2,5-二酮

  • 37904-03-3

    4-氧-4-(4-甲苯胺基)丁-2-烯酸

  • ~93%

  • 1631-28-3

    1-(4-甲基苯基)-1H-吡咯-2,5-二酮

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ON6475000
CHEMICAL NAME :
Maleimide, N-p-tolyl-
CAS REGISTRY NUMBER :
1631-28-3
BEILSTEIN REFERENCE NO. :
0131320
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C11-H9-N-O2
MOLECULAR WEIGHT :
187.21
WISWESSER LINE NOTATION :
T5VNVJ BR D1

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 :
710 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962
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
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
360 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962

海关数据查看详细

中国海关编码:2925190090

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
摘要/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%

分子结构与计算化学数据展开↓

计算化学数据


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:270

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

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