对溴苯酚
一般危化品
对溴苯酚结构式
|
常用名 | 对溴苯酚 | 英文名 | 4-Bromophenol |
|---|---|---|---|---|
| CAS号 | 106-41-2 | 分子量 | 173.007 | |
| 密度 | 1.7±0.1 g/cm3 | 沸点 | 238.0±0.0 °C at 760 mmHg | |
| 分子式 | C6H5BrO | 熔点 | 61-64 °C(lit.) | |
| MSDS | 中文版 美版 | 闪点 | 90.8±19.8 °C | |
| 符号 |
GHS07 |
信号词 | Warning |
|
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... |
|
|
Liver protein targets of hepatotoxic 4-bromophenol metabolites.
Chem. Res. Toxicol. 25(8) , 1777-86, (2012) The hepatotoxicity of bromobenzene (BB) is directly related to the covalent binding of both initially formed epoxide and secondary quinone metabolites to at least 45 different liver proteins. 4-Bromophenol (4BP) is a significant BB metabolite and a precursor ... |
|
|
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... |
|
|
Developing structure-activity relationships for the prediction of hepatotoxicity.
Chem. Res. Toxicol. 23 , 1215-22, (2010) Drug-induced liver injury is a major issue of concern and has led to the withdrawal of a significant number of marketed drugs. An understanding of structure-activity relationships (SARs) of chemicals can make a significant contribution to the identification o... |
|
|
A predictive ligand-based Bayesian model for human drug-induced liver injury.
Drug Metab. Dispos. 38 , 2302-8, (2010) Drug-induced liver injury (DILI) is one of the most important reasons for drug development failure at both preapproval and postapproval stages. There has been increased interest in developing predictive in vivo, in vitro, and in silico models to identify comp... |
|
|
Cellular apoptosis and cytotoxicity of phenolic compounds: a quantitative structure-activity relationship study.
J. Med. Chem. 48 , 7234-42, (2005) In this comprehensive study on the caspase-mediated apoptosis-inducing effect of 51 substituted phenols in a murine leukemia cell line (L1210), we determined the concentrations needed to induce caspase activity by 50% (I50) and utilized these data to develop ... |
|
|
Parallel artificial membrane permeability assay: a new membrane for the fast prediction of passive human skin permeability.
J. Med. Chem. 49 , 3948-54, (2006) This work was devoted to the search for new artificial membranes allowing a rapid evaluation of passive human skin permeation of compounds with a parallel artificial membrane permeability assay (PAMPA). Effective permeability coefficients (Pe) determined for ... |
|
|
In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities.
J. Med. Chem. 50 , 742-8, (2007) The development of in silico and in vitro tools to estimate or predict the passive human skin permeation and distribution of new chemical entities, useful in dermal drug delivery, in absorption studies of toxic compounds, and in the cosmetics industry, is pre... |
|
|
Enhancement of bromophenol levels in aquacultured silver seabream (Sparus sarba).
J. Agric. Food Chem. 53(6) , 2133-9, (2005) The effect of the addition of marine algae in fish feed on the levels of bromophenols in fish flesh was studied. These bromophenols include 2-bromophenol, 4-bromophenol, 2,4-dibromophenol, 2,6-dibromophenol, and 2,4,6-tribromophenol. Two types of algae-contai... |
|
|
Biodegradation of brominated aromatics by cultures and laccase of Trametes versicolor.
Chemosphere 76(6) , 826-32, (2009) 2-Bromophenol (1), 4-bromophenol (2), 2,4-dibromophenol (3), 2,6-dibromophenol (4), 2,4,6-tribromophenol (5) and tetrabromobisphenol A (6) (1 mM each) added to growing submerged cultures of Trametes versicolor CCBAS 612 were eliminated by 65-85% from the cult... |