3-氟苯酚
3-氟苯酚结构式
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常用名 | 3-氟苯酚 | 英文名 | 3-Fluorophenol |
|---|---|---|---|---|
| CAS号 | 372-20-3 | 分子量 | 112.102 | |
| 密度 | 1.2±0.1 g/cm3 | 沸点 | 178.0±0.0 °C at 760 mmHg | |
| 分子式 | C6H5FO | 熔点 | 8-12 °C(lit.) | |
| MSDS | 中文版 美版 | 闪点 | 71.1±0.0 °C | |
| 符号 |
GHS05, GHS06 |
信号词 | Danger |
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cIEF for rapid pKa determination of small molecules: a proof of concept.
Eur. J. Pharm. Sci. 63 , 14-21, (2014) A capillary isoelectric focusing (cIEF) method was developed for the determination of the ionization constants (pKa) of small molecules. Two approaches used to decrease the electroosmotic flow (EOF) were compared: (i) a hydroxypropylcellulose (HPC) coated cap... |
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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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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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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 ... |
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The many roles for fluorine in medicinal chemistry.
J. Med. Chem. 51 , 4359-69, (2008)
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Structures of the monofluoro- and monochlorophenols at low temperature and high pressure.
Acta Crystallogr. B 61(Pt 1) , 69-79, (2005) 2-Fluorophenol, 3-fluorophenol and 3-chlorophenol were recrystallized from frozen solids at 260, 263 and 283 K. All compounds were also crystallized by the application of high pressure (0.36, 0.12 and 0.10 GPa). While 3-fluorophenol and 3-chlorophenol yielded... |
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Biotransformation of halophenols using crude cell extracts of Pseudomonas putida F6.
Appl. Microbiol. Biotechnol. 64(4) , 486-92, (2004) Crude cell extracts of Pseudomonas putida F6 transformed 4-substituted fluoro-, chloro-, bromo- and iodo-phenol without the exogenous addition of cofactors. The rate of substrate consumption decreased with increasing substituent size (F>Cl>Br>I). Biotransform... |
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Excited state hydrogen transfer in fluorophenol.ammonia clusters studied by two-color REMPI spectroscopy.
Phys. Chem. Chem. Phys. 8(1) , 114-21, (2006) Two-color (1 + 1') REMPI mass spectra of o-, m- and p-fluorophenol.ammonia (1 ration) clusters were measured with a long delay time between excitation and ionization lasers. The appearance of NH(4)(NH(3))(n-1)(+) with 100 ns delay after exciting the S(1) stat... |
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19F-NMR study on the pH-dependent regioselectivity and rate of the ortho-hydroxylation of 3-fluorophenol by phenol hydroxylase from Trichosporon cutaneum. Implications for the reaction mechanism.
Eur. J. Biochem. 218(2) , 345-53, (1993) The regioselectivity and rate of the ortho-hydroxylation of 3-fluorophenol by phenol hydroxylase from Trichosporon cutaneum (EC 1.14.13.7) was studied using 19F-NMR. The regioselective hydroxylation as well as the rate of ortho-hydroxylation are pH dependent ... |
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[Biodegradability and degradation mechanism of 3-fluorophenol by the activated sludge].
Huan Jing Ke Xue 27(9) , 1841-5, (2006) An acclimated activated sludge was examined for its ability to degrade 3-fluorophenol in aerobic batch cultures. The result indicated that the organism degrades up to 100 mg/L 3-fluorophenol completely with approximately 100% fluoride anion release within 16 ... |