对二溴苯
对二溴苯结构式
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常用名 | 对二溴苯 | 英文名 | 1,4-Dibromobenzene |
|---|---|---|---|---|
| CAS号 | 106-37-6 | 分子量 | 235.904 | |
| 密度 | 1.9±0.1 g/cm3 | 沸点 | 217.9±13.0 °C at 760 mmHg | |
| 分子式 | C6H4Br2 | 熔点 | 86-89 °C | |
| MSDS | 中文版 美版 | 闪点 | 89.3±19.1 °C | |
| 符号 |
GHS07, GHS09 |
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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QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES.
Eur. J. Med. Chem. 43 , 714-40, (2008) Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and organic compounds of different classes by optimal descriptors.... |
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Photon upconversion and photocurrent generation via self-assembly at organic-inorganic interfaces.
J. Phys. Chem. Lett. 6 , 4510-7, (2015) Molecular photon upconversion via triplet-triplet annihilation (TTA-UC), combining two or more low energy photons to generate a higher energy excited state, is an intriguing strategy to surpass the maximum efficiency for a single junction solar cell (<34%). H... |
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Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme.
J. Med. Chem. 48 , 440-9, (2005) The purpose of this study was to develop screening and in silico modeling methods to obtain accurate information on the active center of CYP2A6, a nicotine oxidizing enzyme. The inhibitory potencies of 26 naphthalene and 16 non-naphthalene derivatives were de... |
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Exploring QSAR and QAAR for inhibitors of cytochrome P450 2A6 and 2A5 enzymes using GFA and G/PLS techniques
Eur. J. Med. Chem. 44 , 1941-51, (2009) A series of naphthalene and non-naphthalene derivatives ( n = 42) having cytochrome P450 2A6 and 2A5 inhibitory activities, reported by Rahnasto et al., were subjected to QSAR and QAAR studies. The analyses were performed using electronic, spatial, shape and ... |
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Hepatotoxicity of brominated benzenes: relationship between chemical structure and hepatotoxic effects in acute intoxication of mice.
Arch. Toxicol. 72(2) , 97-103, (1998) Brominated benzenes appear in the environment and human tissues. Their detection in the environment may be as a result of their usage, e.g. hexabromobenzene (HBB), and as products of HBB degradation or metabolism. The aim of this study was to compare liver im... |
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Determination of suspected fragrance allergens extended list by two-dimensional gas chromatography-mass spectrometry in ready-to-inject samples.
J. Chromatogr. A. 1404 , 95-103, (2015) A new strategy was developed to elucidate and quantify 56 (69 analytes including isomers) suspected chemically defined fragrance allergens in perfumes that were recently targeted by the Scientific Committee on Consumer Safety (SCCS). Samples were analyzed wit... |
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Comparison of tissue distribution and metabolism of 1,2- and 1,4-dibromobenzenes in female rats.
Int. J. Occup. Med. Environ. Health 15(4) , 375-83, (2002) The distribution, excretion and metabolism of 1,4-dibromobenzene (1,4-DBB) and 1,2-dibromobenzene (1,2-DBB), following a single intraperitoneal administration to female Wistar rats, were investigated using radiotracer 3H and GC-MS technique. The maximum level... |
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The covalent interaction of 1,4-dibromobenzene with rat and mouse nucleic acids: in vivo and in vitro studies.
Toxicol. Lett. 54(2-3) , 121-7, (1990) 1,4-Dibromobenzene (1,4-DBB) was covalently bound to DNA from liver, kidney, lung and stomach of mice after intraperitoneal administration. The covalent binding index (CBI) value (23 in mouse liver) was typical of weak initiators. On the contrary, no interact... |
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Isolation of a novel metabolizing system enriched in phase-II enzymes for short-term genotoxicity bioassays.
Mutat. Res. 413(3) , 205-17, (1998) Murine S9 liver fractions isolated from mice fed 7.5 g kg-1 2(3)-tert-Butyl-4-hydroxyanisole (BHA) for 3 weeks were tested to determine: (a) the profile of both phase-I and phase-II xenobiotic metabolizing enzymes; (b) their ability to induce in vitro covalen... |