苯甲腈
一般危化品
苯甲腈结构式
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常用名 | 苯甲腈 | 英文名 | Benzonitrile |
|---|---|---|---|---|
| CAS号 | 100-47-0 | 分子量 | 103.121 | |
| 密度 | 1.0±0.1 g/cm3 | 沸点 | 191.1±0.0 °C at 760 mmHg | |
| 分子式 | C7H5N | 熔点 | -13 °C | |
| MSDS | 中文版 美版 | 闪点 | 71.7±0.0 °C | |
| 符号 |
GHS07 |
信号词 | Warning |
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Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrins
Bioorg. Med. Chem. 17 , 896-904, (2009) This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoretical molecular descriptors, calculated solely from the mole... |
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Dielectric behaviors of typical benzene monosubstitutes, bromobenzene and benzonitrile.
J. Phys. Chem. B 116(41) , 12605-13, (2012) The dielectric behaviors of typical benzene monosubstitutes, bromobenzene (Br-Bz) and benzonitrile (NC-Bz), were investigated up to 3 THz in the pure liquid state over a temperature range from 10 to 60 °C to understand differences in molecular motions of thes... |
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Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk).
J. Med. Chem. 48 , 3269-79, (2005) Growing interest in the use of both the logarithm of the partition coefficient of the neutral species in the alkane/water system (log P(N)(alk)) and the difference between log P(N)(oct) (the logarithm of the partition coefficient of the neutral species in the... |
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Toward prediction of alkane/water partition coefficients.
J. Med. Chem. 51 , 3720-30, (2008) Partition coefficients were measured for 47 compounds in the hexadecane/water ( P hxd) and 1-octanol/water ( P oct) systems. Some types of hydrogen bond acceptor presented by these compounds to the partitioning systems are not well represented in the literatu... |
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Unexpected photoluminescence of fluorinated naphthalene diimides.
Chemistry 21(10) , 4133-40, (2015) Two new amino core-substituted naphthalene diimides (cNDIs) bearing fluorinated side chains have been synthesised. Steady-state and time-resolved fluorescence spectroscopy reveals unprecedented optical properties for the cNDIs with high quantum yields of ∼0.8... |
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Solid Solutions of Rare Earth Cations in Mesoporous Anatase Beads and Their Performances in Dye-Sensitized Solar Cells.
Sci. Rep. 5 , 16785, (2015) Solid solutions of the rare earth (RE) cations Pr(3+), Nd(3+), Sm(3+), Gd(3+), Er(3+) and Yb(3+) in anatase TiO2 have been synthesized as mesoporous beads in the concentration range 0.1-0.3% of metal atoms. The solid solutions were have been characterized by ... |
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Acidity of the amidoxime functional group in aqueous solution: a combined experimental and computational study.
J. Phys. Chem. B 119(8) , 3567-76, (2015) Poly(acrylamidoxime) adsorbents are often invoked in discussions of mining uranium from seawater. While the amidoxime-uranyl chelation mode has been established, a number of essential binding constants remain unclear. This is largely due to the wide range of ... |
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Formation of highly toxic hydrogen cyanide upon ruby laser irradiation of the tattoo pigment phthalocyanine blue.
Sci. Rep. 5 , 12915, (2015) Since laser treatment of tattoos is the favored method for the removing of no longer wanted permanent skin paintings, analytical, biokinetics and toxicological data on the fragmentation pattern of commonly used pigments are urgently required for health safety... |
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Characterization of ceramic hydroxyapatite surface by inverse liquid chromatography in aquatic systems.
Talanta 147 , 44-9, (2015) The novel approach for hydroxyapatite (HA) surface characterization was proposed. The main aim of this investigation was to estimate surface properties of HA as a biomaterial in real system i.e. in simulated body fluid (SBF). One of the method, which might be... |
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Self-assembled hybrid metal oxide base catalysts prepared by simply mixing with organic modifiers.
Nat. Commun. 6 , 8580, (2015) Multidentate materials formed by simply mixing heterogeneous and homogeneous components are promising for construction of versatile active sites on the surface of heterogeneous compounds, however, to the best of our knowledge, there are no reports on such mat... |