4813-50-7 (丁基过氧化氢,Hydroperoxide, butyl)

快速询单

结构式：

丁基过氧化氢MOL文件

CAS号：

4813-50-7

中文名称：

丁基过氧化氢

英文名称：

Hydroperoxide, butyl

分子式：

C₄H₁₀O₂

分子量：

90.1210017204285

丁基过氧化氢(4813-50-7)名称与标识符

名称

英文别名：

Hydroperoxide, butyl;1-hydroperoxybutane;n-butylhydroperoxide;Butyl hydroperoxide;DTXSID30197432;BUTYLHYDROPEROXIDE, N-;AKUNSTOMHUXJOZ-UHFFFAOYSA-N;N-Butyl hydroperoxide;n-Butylperoxide;4813-50-7;73GK3R6FNC;n-C4H9OOH;UNII-73GK3R6FNC;CCRIS 4489;AKOS006279984;

标识符

InChIKey：

AKUNSTOMHUXJOZ-UHFFFAOYSA-N

Inchi：

1S/C4H10O2/c1-2-3-4-6-5/h5H,2-4H2,1H3

SMILES：

O(CCCC)O

丁基过氧化氢(4813-50-7)物化性质

实验特性

PSA : 29.46
折射率 : 1.4042
沸点 : 107.34°C (rough estimate)
密度 : 0.9017

计算特性

精确分子量 : 90.0681
氢键供体数量 : 1
氢键受体数量 : 2
可旋转化学键数量 : 3
同位素质量 : 90.068079557g/mol
重原子数量 : 6
复杂度 : 21.5
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） : 0.8
拓扑分子极性表面积 : 29.5Å²

丁基过氧化氢(4813-50-7)相关文献

1. Application of iron-based metal–organic frameworks in catalysis: oxidant-promoted formation of coumarins using Fe3O(BPDC)3 as an efficient heterogeneous catalyst
Thien N. Lieu,Khoa D. Nguyen,Dung T. Le,Thanh Truong,Nam T. S. Phan Catal. Sci. Technol. 2016 6 5916
2. Oxidation of 2,4-di-t-butylphenol with t-butyl hydroperoxide catalysed by copper(II)–ethylenediamine complexes
Keiko Kushioka,Iwao Tanimoto,Kazuhiro Maruyama J. Chem. Soc. Perkin Trans. 2 1989 1303
3. Decomposition of organic hydroperoxides. Part 4.—The mechanism of the decomposition of tert-butyl hydroperoxide catalyzed by cupric phenanthroline acetate
H. Berger,A. F. Bickel Trans. Faraday Soc. 1961 57 1325
4. The radical versus ionic mechanisms of reduced cobalamin inactivation by tert-butyl hydroperoxide and hydrogen peroxide in aqueous solution
Denis S. Salnikov,Sergei V. Makarov,Oscar I. Koifman New J. Chem. 2021 45 535
5. Decomposition of organic hydroperoxides. Part 5.—Decomposition of tert-butyl hydroperoxide catalyzed by nitriles and base
H. Berger Trans. Faraday Soc. 1962 58 1137
6. γ-Radiolysis of liquid t-butyl hydroperoxide
D. Verdin Trans. Faraday Soc. 1969 65 2438
7. Oxymetallation. Part 23. Peroxymercuriation of bicyclo[n.1.0]alkanes
A. J. Bloodworth,Kam Hung Chan,Christopher J. Cooksey,Neville Hargreaves J. Chem. Soc. Perkin Trans. 1 1991 1923
8. Spectrophotometric determination of cobalt with ethylenediaminetetraacetic acid and tert-butyl hydroperoxide
Pilar Bermejo-Barrera,Jose F. Vazquez Gonzalez,Francisco Bermejo Martinez Analyst 1985 110 811
9. Studies by electron spin resonance of radicals produced in the photolysis of alkyl peroxides and hydroperoxides
W. J. Maguire,R. C. Pink Trans. Faraday Soc. 1967 63 1097
10. Reactions of oxygenated radicals in the gas phase. Part 14. Reactions of t-butylperoxyl radicals
David A. Osborne,David J. Waddington J. Chem. Soc. Perkin Trans. 2 1984 1861