3-异丙基-二甲基苄基异氰酸酯TMI | 2094-99-7
3-异丙基-二甲基苄基异氰酸酯TMI
1-(1-Isocyanato-1-methylethyl)-3-isopropenylbenzene
2094-99-7
C13H15NO
201.2643
名称和标识符
MDL |
MFCD00080490 |
InChIKey |
ZVEMLYIXBCTVOF-UHFFFAOYSA-N |
Inchi |
1S/C13H15NO/c1-10(2)11-6-5-7-12(8-11)13(3,4)14-9-15/h5-8H,1H2,2-4H3 |
SMILES |
C=C(C)C1=CC(=CC=C1)C(C)(C)N=C=O |
别名信息
- 中文别名 -
- 3-异丙基-二甲基苄基异氰酸酯TMI
- 1-(1-异氰酸根合-1-甲基乙基)-3-(1-甲基乙烯基)苯
- 3-异丙基-二甲基苄基异氰酸酯
- 3-异丙烯基-Α,Α-二甲基苯基异氰酸酯
- 异氰酸-3-异丙基-α,α-二甲基苄酯
- 1-(1-异氰酸基-1-甲基乙基)-3-异丙烯基苯
- 3-Isopropenyl-alpha,alpha-dimethylbenzyl Isocyanate 异氰酸-3-异丙基-α,α-二甲基苄酯
- 3-异丙基苯基-alpha,alpha-二甲基异氰酸苄酯
- 3-异丙烯基-α,α-二甲基苄基异氰酸酯
- 异氰酸3-异丙基-α,α-二甲基苄酯
- 3-异丙烯基-Alpha,Alpha-二甲基苯基异氰酸酯
- 英文别名 -
- 3-Isopropenyl-α,α-dimethylbenzyl Isocyanate
- 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)-benzen
- 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
- 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)-Benzene
- 1-(1-isocyanato-1-methyl-ethyl)-3-isopropenyl-benzene
- 2-(3-isopropenyl-phenyl)-2-methyl-ethylisocyanate
- alpha,alpha-dimethyl-m-isopropenylbenzylisocyanate
- isocyanicacid,m-isopropenyl-alpha,alpha-dimethylbenzylester
- m-tetramethylxyleneisocyanate
- 3-Isopropenyl-alpha,alpha-dimethylbenzyl Isocyanate
- 1-(1-Isocyanato-1-methylethyl)-3-isopropenylbenzene
- 1-(2-isocyanatopropan-2-yl)-3-(prop-1-en-2-yl)benzene
- 1-(2-isocyanatopropan-2-yl)-3-prop-1-en-2-ylbenzene
- ALPHA ALPHA-DIMETHYL-3-ISOPROPENYLBENZYL ISOCYANATE
- Benzene,1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)-
- 1-methyl-1-[3-(1-methylethenyl)phenyl]ethyl isocyanate
- 3-Isopropenylcumyl Isocyanate
- Isocyanic Acid 3-Isopropenylcumyl Ester
- Isocyanic Acid 3-Isopropenyl-α,α-dimethylbenzyl Ester
- 3-isopropenyl-alpha,alpha-dimethylbenzyl isocyanate
- 3-Isopropenyl-.alpha.,.alpha.-dimethylbenzyl isocyanate
- 3-isopropenyl-alpha,alpha-dimethylbenzyl
- 3-isopropenyl alpha, alpha-dimethylbenzyl isocyanate
- Tox21_301716
- 3-isopropenyl alpha,alpha-dimethylbenzyl isocyanate
- EC 402-440-2
- 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)-benzene
- SCHEMBL149072
- MFCD00080490
- NCGC00256224-01
- 3-isopropenyl-alpha,alpha-dimethylbenzylisocyanate
- DTXCID7024871
- alpha,alpha-dimethyl-3-isopropenyl-benzyl isocyanate
- m-TMI
- Isocyanic acid meta-isopropenyl-alpha,alpha-dimethylbenzyl ester
- 3-ISOPROPENYL-.ALPHA.,.ALPHA.'-DIMETHYLBENZYL ISOCYANATE
- dimethyl-m-isopropenylbenzyl isocyanate
- Dimethyl m-isopropenyl Benzyl Isocyanate
- 1-(1-Isocyanato-1-methylethyl)-3-isopropenylbenzene #
- m-Tetramethylxylene isocyanate
- AKOS000119776
- 3-Isopropenyl-alpha,alpha-dimethylbenzyl isocyanate, 95%, contains <=200 ppm BHT as inhibitor
- 3-Isopropenyl-alpha,alpha-dimethylbenzyl isocyanate
- I0431
- NS00009468
- BRN 2642954
- m-(2-isocyanatoprop-2-yl)-alpha-methylstyrene
- ISOCYANIC ACID, M-ISOPROPENYL-.ALPHA.,.ALPHA.-DIMETHYLBENZYL ESTER
- 2094-99-7
- 1-(1-Isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
- M-ISOPROPENYLCUMYL ISOCYANATE
- PD158974
- RY29G3V80M
- EN300-19658
- FT-0615927
- Q27288340
- alpha,alpha-dimethyl meta-isopropenyl benzyl isocyanate
- DTXSID9044871
- 1-(2-Isocyanatopropan-2-yl)-3-(prop-1-en-2-yl)benzene
- CAS-2094-99-7
- UNII-RY29G3V80M
- Isocyanic Acid 3-Isopropenyl-alpha,alpha-dimethylbenzyl Ester
- alpha,alpha-Dimethyl-m-isopropenyl benzyl isocyanate
- 2-(3-(Prop-1-en-2-yl)phenyl)prop-2-yl isocyanate
- m-isopropenyl-alpha,alpha-dimethylbenzyl isocyanate
- Benzene, 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)-
- alpha,alpha-dimethyl-m-isopropenylbenzyl isocyanate
- .ALPHA.,.ALPHA.-DIMETHYL-M-ISOPROPENYLBENZYL ISOCYANATE
- Isocyanic acid, m-isopropenyl-alpha,alpha-dimethyl benzyl ester
- CHEMBL3184458
物化性质
实验特性
LogP |
3.29060 |
PSA |
29.43000 |
折射率 |
n20/D 1.53(lit.) |
沸点 |
85°C/0.9mmHg(lit.) |
闪点 |
>230 °F |
颜色与性状 |
未确定 |
溶解性 |
未确定 |
密度 |
1.018 g/mL at 25 °C(lit.) |
计算特性
精确分子量 |
201.11500 |
氢键供体数量 |
0 |
氢键受体数量 |
2 |
可旋转化学键数量 |
3 |
同位素质量 |
201.115364 |
重原子数量 |
15 |
复杂度 |
287 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
3.1 |
表面电荷 |
0 |
拓扑分子极性表面积 |
29.4 |
海关数据
海关编码 |
2929109000 |
海关数据 |
中国海关编码:
2929109000
概述:
2929109000. 其他异氰酸酯. 增值税率:17.0%. 退税率:13.0%. 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:
2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
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化合物详情(旧版)
物理化学性质
产品用途
应用领域
化学品安全说明书(MSDS)
储运特性