异氰基乙酸甲酯 | 39687-95-1
中文名称:
异氰基乙酸甲酯
英文名称:
methyl 2-isocyanoacetate
CAS No.:
39687-95-1
分子式:
C4 H5 NO2
分子量:
99.0880
名称和标识符
MDL
MFCD00000006
InChIKey
CRXFROMHHBMNAB-UHFFFAOYSA-N
Inchi
1S/C4H5NO2/c1-5-3-4(6)7-2/h3H2,2H3
SMILES
O(C([H])([H])[H])C(C([H])([H])[N+]#[C-])=O
别名信息
- 中文别名 -
异氰基乙酸甲酯
2-异氰基乙酸甲酯
乙酸, 2-异氰基-, 甲酯
异腈基乙酸甲酯
异氰乙酸甲酯
Methyl Isocyanoacetate 异氰基乙酸甲酯
- 英文别名 -
Methyl isocyanoacetate
Methyl isocyanoacetate, technical grade
(2-Oxo-2-methoxyethyl) isocyanide
2-Isocyanoacetic acid methyl ester
2-Oxo-2-methoxyethyl isocyanide
Methyl 2-isocyanoacetate
Acetic acid, 2-isocyano-, Methyl ester
Methyl Isocyanoaceta
Isocyanoacetic Acid Methyl Ester
Aceticacid, isocyano-, methyl ester (9CI)
Methyl a-isocyanoacetate
Methylisocyanoacetate
Isocyano-acetic acid methyl ester
Methyl isocyanoacetate, 95%, tech.
methyl-isocyanoacetate
Acetic acid,2-isocyano-, methyl ester
methyl isocyano-acetate
methyl alpha-isocyanoacetate
KSC581O3D
AB0000948
AB1002182
M2549
InChI=1/C4H5NO2/c1-5-3-4
methyl 2-isocyanoacetate
FT-0639566
MFCD00000006
AKOS015950609
EN300-50659
methylisocyanoacetate
NS00057701
39687-95-1
Isocyanoacetic acid methyl ester
GEO-03019
A848819
GS-0284
InChI=1/C4H5NO2/c1-5-3-4(6)7-2/h3H2,2H
物化性质
实验特性
LogP
-0.69060
PSA
26.30000
折射率
n20/D 1.417(lit.)
水溶性
Miscible with organic solvents. Slightly miscible with water.
沸点
75-76 °C/10 mmHg(lit.)
熔点
No data available
蒸气压
No data available
闪点
华氏:183.2 °F 摄氏:84 °C
颜色与性状
无可用
溶解性
无可用
密度
1.09 g/mL at 25 °C(lit.)
计算特性
精确分子量
99.03200
氢键供体数量
0
氢键受体数量
3
可旋转化学键数量
2
同位素质量
99.032
重原子数量
7
复杂度
110
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)
-0.5
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
30.7
海关数据
海关编码
2926909090
海关数据
中国海关编码:
2926909090
概述:
2926909090 其他腈基化合物. 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:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
相关文献
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2.
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4.
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参考资料
Reaxys RN
3537963
Beilstein
3537963
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