CAS 32477-35-3|N-(Heptafluorobutyryl)imidazole|2,2,3,3,4,4,4-heptafluoro-1-(1H-imidazol-1-yl)butan-1-one|2,2,3,3,4,4,4-heptafluoro-1-(imidazol-1-yl)butan-1-one|HFBI|1-(Heptafluorobutyryl)-1H-imidazo...

基本信息

化学结构

分子式

C₇H₃F₇N₂O

分子量

264.1003424

精确质量

264.01336027

电荷

InChI

InChI=1S/C7H3F7N2O/c8-5(9,6(10,11)7(12,13)14)4(17)16-2-1-15-3-16/h1-3H

InChIKey

MSYHGYDAVLDKCE-UHFFFAOYSA-N

Canonic Smiles

O=C(C(C(C(F)(F)F)(F)F)(F)F)n1cncc1

Isomeric Smiles

c1ncn(c1)C(=O)C(C(C(F)(F)F)(F)F)(F)F

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

1.7075062

LogD (pH = 7.4)

1.7081902

Log P

1.708199

摩尔折射率

38.6293

极化性

14.310233

极化表面积

34.89

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

IUPAC标准名

2,2,3,3,4,4,4-heptafluoro-1-(1H-imidazol-1-yl)butan-1-one

别名

N-(Heptafluorobutyryl)imidazole1-(Heptafluorobutyryl)-1H-imidazole2,2,3,3,4,4,4-Heptafluoro-1-(1H-imidazol-1-yl)butan-1-oneHFBI1-(Perfluorobutanoyl)-1H-imidazole 97%1-(Perfluorobutanoyl)-1H-imidazole 99+%N-(Heptafluorobutyryl)imidazole2,2,3,3,4,4,4-Heptafluoro-1-(1H-imidazol-1-yl)-1-butanone1-(2,2,3,3,4,4,4-Heptafluoro-1-oxobutyl)-1H-imidazole1-(Heptafluorobutyryl)imidazole1-(Heptafluorobutyryl)imidazoleN-Heptafluorobutyrylimidazole1-(Perfluorobutyryl)imidazoleNSC 151966N-七氟丁酰基咪唑1-(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)-1h-imidazole

IUPAC传统名

2,2,3,3,4,4,4-heptafluoro-1-(imidazol-1-yl)butan-1-one

名称和标识

数据登录号

PubChem CID

94431

PubChem SID

1609752732487957024895875

MDL号

CAS号

Beilstein号

EC号

数据登录号

化合物性质

安全信息

下载链接

IRRITANT, MOISTURE SENSITIVE, KEEP COLD

化合物性质

分子相关蛋白质

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分子图谱

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描述信息

Apollo Scientific

PC4494

Anal.Lett., 1, 311 (1968): reagent for the derivatisation of amines and alcohols for GC analysis.

Sigma Aldrich

556645

包装
1, 5 g in glass bottle
General description
May form a precipitate and may darken on storage-will not effect performance.

H9903

Biochem/physiol Actions
Mild amine-group derivatizing reagent; non-acidic by-product prevents decomposition and reduces GC column degradation.
包装
1 g in ampule

TRC

H281060

A derivatization agent used in gas chromatography for determination of various pharmaceutical compounds such as retronecine in biological matrixes.

描述信息

参考文献

PubChem文献

数据源提供

• Hovermale, J.T. et al.: Fres. J. Anal. Chem., 361, 201 (1998)

• van Bekken, Y.M. et al.: Che, Res. Toxicol., 11, 1382 (1998)

• GC derivatization reagent for amino and hydroxyl groups: Anal. Lett., 1, 311 (1968); 2, 81 (1969); compare Heptafluorobutyric anhydride, A10744.

参考文献

生物活性

PubChem BioAssay

生物活性

名称和标识

IUPAC标准名

2,2,3,3,4,4,4-heptafluoro-1-(1H-imidazol-1-yl)butan-1-one

别名

IUPAC传统名

2,2,3,3,4,4,4-heptafluoro-1-(imidazol-1-yl)butan-1-one

数据登录号

PubChem CID

94431

PubChem SID

1609752732487957024895875

MDL号

CAS号

Beilstein号

EC号

描述信息

PC4494

Anal.Lett., 1, 311 (1968): reagent for the derivatisation of amines and alcohols for GC analysis.

Sigma Aldrich

556645

包装
1, 5 g in glass bottle
General description
May form a precipitate and may darken on storage-will not effect performance.

H9903

Biochem/physiol Actions
Mild amine-group derivatizing reagent; non-acidic by-product prevents decomposition and reduces GC column degradation.
包装
1 g in ampule

TRC

H281060

A derivatization agent used in gas chromatography for determination of various pharmaceutical compounds such as retronecine in biological matrixes.

参考文献

PubChem文献

数据源提供

• Hovermale, J.T. et al.: Fres. J. Anal. Chem., 361, 201 (1998)

• van Bekken, Y.M. et al.: Che, Res. Toxicol., 11, 1382 (1998)

• GC derivatization reagent for amino and hydroxyl groups: Anal. Lett., 1, 311 (1968); 2, 81 (1969); compare Heptafluorobutyric anhydride, A10744.

生物活性

PubChem BioAssay

化合物性质

安全信息

下载链接

IRRITANT, MOISTURE SENSITIVE, KEEP COLD

化合物信息

ID:11966