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羰基咪唑 | 530-62-1

羰基咪唑
N,N'-Carbonyldiimidazole
530-62-1
C7H6N4O
162.1487
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:羰基咪唑结构式
68263
羰基咪唑价格
名称和标识符
MDL MFCD00005286
InChIKey PFKFTWBEEFSNDU-UHFFFAOYSA-N
Inchi 1S/C7H6N4O/c12-7(10-3-1-8-5-10)11-4-2-9-6-11/h1-6H
SMILES O=C(N1C([H])=NC([H])=C1[H])N1C([H])=NC([H])=C1[H]
BRN 6826
别名信息
- 中文别名 -
  • 羰基咪唑
  • N,N'-羰基二咪唑
  • 1,1'-羰基二咪唑
  • 1,1ˊ-羰酰二咪唑
  • 羰基二咪唑
  • 1,1'-羰二咪唑
  • 碳二引咪唑
  • 1,1'-羰基二咪唑[用于肽合成的偶联剂]
  • 1,1’-羰基二咪唑
  • 1,1′-羰基二咪唑 CDI
  • 1,1'-Carbonyldiimidazole [Coupling Agent for Peptides Synthesis] 1,1'-羰基二咪唑[用于肽合成的偶联剂]
  • 1,1-羰基二咪唑
  • 1,1-羰酰二咪唑
  • CDI N,N'-羰基二咪唑
  • N,N -羰基二咪唑(CDI)
  • N,N′-羰基二咪唑
  • N,N''-羰基二咪唑
  • N,N-羰基二咪唑
  • N,N'-羰基二咪唑(CDI)
  • N'N-羰基二咪唑
  • 1,1'-羰基双-1H-咪唑
  • 羰基咪唑,1,1'-羰基二咪唑
  • N,N'-羰基二咪唑[用于肽合成的偶联剂]
  • N,N'-羰基二咪唑,97%
  • N,N'-羰基二咪唑98%CDI
  • CDI, N,N'-羰基二咪唑
  • N,N'-羰基二咪唑 (CDI)(2-8℃)
  • 1,1-碳酰二咪唑
  • HT--102 N,N'-羰基二咪唑(CDI)
- 英文别名 -
  • 1,1'-Carbonyldiimidazole
  • 1.1'-CARBONYL-BIS-IMIDAZOLE
  • 1,1-CARBONYL DIIMIDAZOLE
  • 1H-IMIDAZOLE, 1,1'-CARBONYLBIS-
  • CARBODIIMIDAZOLE
  • CARBONYLDIIMIDAZOLE
  • CDI
  • DI(1H-IMIDAZOL-1-YL)METHANONE
  • (DIIMIDAZOL-1-YL)KETONE
  • IM2 C O
  • N,N-CARBONYLDIIMIDAZOLE
  • RARECHEM AK HZ 0060
  • 1,1'-carbonylbis-1h-imidazol
  • carbonylimidazole
  • 1,1'-CARBONYLDIIMIDAZOLE (CDI)
  • CARBONYLDIIMIDAZOLE N,N
  • N,N'-Carbonyldiimidazole (CDI)
  • 1,1'-Carbonyldiimidazole [Coupling Agent for Peptides Synthesis]
  • CDI (N,N-Carbonyldiimidazole)
  • N.N'-Carbonyldiimidazole
  • 1,1‘-Carbonyldiimidazole
  • 1,1′
  • N,N’-Carbonyldiimidazole (CDI)
  • N,N'-Carbonyl Diimidazole
  • N,N'-Carbonyl Diimidazole
  • 1,1'-Carbonylbis-1H-imidazole
  • N,N'-Carbonyldiimidazole
  • Carbonyl diimidazole
  • Diimidazol-1-yl ketone
  • 1,1-Carbonyldiimidazole
  • N,N'-Carbonylbis(imidazole)
  • 1-Oxomethylenebis(N-imidazole)
  • 1,1'-Carbonyldiimidazol
  • 1-(1H-imidazole-1-carbonyl)-1H-imidazole
  • 1,1'-carbonyl diimidazole
  • di(imidazol-1-yl)methanone
  • di-1
  • N,N'-Carbonyldiimidazol
  • LABOTEST-BB LT00233203
  • AKOS BBS-00004316
  • carbonyidimidazole
  • 1,1'carbonylbis[1H-imidazole]
  • FT-0606075
  • 1,1'carbonyl diimidazole
  • 1,1'-Carbonyidimidazole
  • carbonyl-1,1'-dimidazole
  • 1,1'-(oxomethanediyl)bis-1H-imidazole
  • 1,1'carbonyldiimidazol
  • PB47918
  • carbonyldiirnidazole
  • Carbonyl-1,1'-diimidazole
  • 1,1'-carbonylbis(1H-imidazole)
  • BP-12399
  • P17515
  • BIS(IMIDAZOL-1-YL) KETONE
  • 1.1'carbonyldiimidazole
  • BCP01361
  • Methanone, di-1H-imidazol-1-yl-
  • 1,1-di-imidazol-1-yl-methanone
  • NSC67203
  • 1,1'-carbonyl-bis(1H-imidazole)
  • CS-W008844
  • W-200555
  • US9144538, 1'-1- Carbonylimidazole
  • 1,1' carbonyl diimidazole
  • di-(imidazol-1-yl)methanone
  • 1,1-'carbonyldiimidazole
  • 1,1'-carbonyl-diimidazol
  • di-1H-imidazolylmethanone
  • di(1H-imidazol-1-yl)methanone
  • 1,1 '-carbonyl-diimidazole
  • 1,1' carbonyl-diimidazole
  • 1,1'-carbonyldi-imidazole
  • 1H-Imidazole,1'-carbonylbis-
  • A7728
  • N,N'-CARBONYLDIIMIDAZOLE [MI]
  • Di(1H-imidazol-1-yl) methanone
  • CDI, >=97.0% (T)
  • 63A10X1FSP
  • 1H-imidazole, 1-(1H-imidazol-1-ylcarbonyl)-
  • 1.1'-carbonyldiimidazole
  • AI3-60328
  • cabonyldiimidazole
  • FT-0687282
  • carbonyldimidazole
  • N,N-Carbonyldiimidazole
  • CCRIS 2606
  • US9138393, 1?-1- Carbonylimidazole
  • 1,1'carbonyldimidazole
  • 1.1' carbonyldiimidazole
  • 1,1'carbonyl-diimidazole
  • AC-10610
  • 1[(1H-imidazol-1-yl)carbonyl]-1H-imidazole
  • 1,1'-carbonyldimidazole
  • Carbonyldiimidazole
  • EN300-21023
  • Imidazole,1'-carbonyldi-
  • CDI, Vetec(TM) reagent grade, 97%
  • NS00007612
  • diimidazol-1-ylmethanone
  • N,N'-Carbonyl diimidazole(CDI)
  • Di-imidazol-1-yl-methanone
  • F0001-1366
  • 1,1'-Carbonyldi(1H-imidazole)
  • BDBM181135
  • 1,1'carbonyldiimidazole
  • 1-(1H-Imidazol-1-ylcarbonyl)-1H-imidazole
  • CDI, reagent grade
  • InChI=1/C7H6N4O/c12-7(10-3-1-8-5-10)11-4-2-9-6-11/h1-6
  • Carbonyidiimidazole
  • di-1H-imidazol-1-ylmethanone
  • 1,1'- carbonyldiimidazole
  • AM20100298
  • FT-0664272
  • DTXSID9038761
  • Carbodiimidazole
  • 1,1'-Carbonyldiimidazole-13C
  • 1,1' -carbonyldiimidazole
  • 1,1'-carbonyidiimidazole
  • 1-(1H-imidazol-1yl-carbonyl)-1H-imidazole
  • 1-(1H-Imidazol-1-ylcarbonyl)-1H-imidazole #
  • SCHEMBL1325
  • carbonyldiimidazol
  • 1,1'-carbonyl bis-1H-imidazole
  • Imidazole, 1,1'-carbonyldi-
  • n,n'-carbonyl diimidazole
  • 1-(1H-imidazol-1-yl-carbonyl)-1H-imidazole
  • 1,1'-cabonyldiimidazole
  • BIS(1H-IMIDAZOL-1-YL)METHANONE
  • 1,1'-carbonylbis[1H-imidazole]
  • UNII-63A10X1FSP
  • Di-(1H-imidazol-1-yl)methanone
  • 1,1'-carbonyldiimmidazol
  • CDL
  • 1,1'-Carbonyl dimidazole
  • CDI Crosslinker
  • 1,1'-Carbonylbisimidazole
  • 1,1'-Carbonyl di-imidazole
  • di-1h-imidazol-1-yl-methanone
  • 1,1 '-Carbonyldiimidazole
  • 1.1'-carbonyl-diimidazole
  • 1,1'-carbonyldi-1H-imidazole
  • 1,1'-carbonylbis-1 H-imidazole
  • CDI, purum, >=95.0% (T)
  • AKOS000120676
  • 1-[(1H-imidazol-1-yl)carbonyl]-1H-imidazole
  • 1,1'-carbonylbis-1h -imidazole
  • 1,1'-Carbonyldiimidazole, >90%
  • N,N''-carbonyldiimidazole
  • 1,1'-Carbonyldiimidazole (>80%)
  • diimidazol-1-yl-methanone
  • MFCD00005286
  • N,N-carbonyldimidazole
  • 1,1'-carbonyl-bis-[1H-imidazole]
  • 1,1'-carbonyl-bis[1H-imidazole]
  • Q418617
  • NSC-67203
  • EC 208-488-9
  • 530-62-1
  • NSC 67203
  • 1,1'-carbonyldi imidazole
  • CDI, 1,1'-Carbonyldiimidazole
  • CHEMBL3903881
  • 1H-Imidazole, 1,1'-carbonylbis-
  • 1,1' Carbonyldiimidazole
  • NCIOpen2_000076
  • EINECS 208-488-9
  • N,N-carbonyidiimidazole
  • 1,1'-Carbonylbis -1H-imidazole
  • 1,1'-carbonyl-diimidazole
  • 1,1'-carbonyldiimdazole
物化性质
实验特性
LogP 0.59600
PSA 52.71000
Merck 1819
折射率 n20/D 1.434
沸点 288.83°C (rough estimate)
熔点 117-122 °C (lit.)
闪点 192.5±23.2 °C
溶解度 Soluble in dimethylformamide.
浓度 0.4 M in methylene chloride
颜色与性状 白色晶体
PH值 7.7 (50g/l, H2O, 20℃)
稳定性 Stable, but moisture-sensitive. Incompatible with acids, strong oxidizing agents, water.
溶解性 溶于极性有机溶剂,通常在CH2Cl2、THF或者乙腈中使用。
敏感性 Moisture Sensitive
酸度系数(pKa) 2.90±0.10(Predicted)
密度 1.303 g/mL at 25 °C
计算特性
精确分子量 162.05400
氢键供体数量 0
氢键受体数量 3
可旋转化学键数量 0
同位素质量 162.054161
重原子数量 12
复杂度 166
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) -0.2
互变异构体数量
表面电荷 0
拓扑分子极性表面积 52.7
国际标准相关数据
EINECS 67203
海关数据
海关编码 29332990
海关数据

中国海关编码:

2933290090

概述:

2933290090. 其他结构含非稠合咪唑环的化合物. 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:20.0%

申报要素:

品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期

Summary:

2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

生产方法和用途
方法
HPLC
将咪唑与溶于苯的光气反应,滤除反应物中的咪唑盐酸盐,滤液浓缩至干,得1,1'-羰基二咪唑,产率91%。
用途
用作农药、医药中间体
用于有机合成。
多肽试剂,用于生化合成基团保护及蛋白质肽链的连接。作为合成三磷核苷、肽、和酯类的缩合剂;以及是合成酰基咪唑和吡藜酰胺的重要中间体。
专业数据库参考
PubChemId 68263
参考资料
Reaxys RN 6826
Beilstein 6826
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