3-Bromophenol
3-Bromophenol structure
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Common Name | 3-Bromophenol | ||
|---|---|---|---|---|
| CAS Number | 591-20-8 | Molecular Weight | 173.007 | |
| Density | 1.7±0.1 g/cm3 | Boiling Point | 235.5±0.0 °C at 760 mmHg | |
| Molecular Formula | C6H5BrO | Melting Point | 30 °C | |
| MSDS | Chinese USA | Flash Point | 91.1±19.8 °C | |
| Symbol |
GHS07 |
Signal Word | 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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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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Pathways of formation of 2-, 3- and 4-bromophenol from bromobenzene. Proposed mechanism for C-S lyase reactions of cysteine conjugates.
Res. Commun. Chem. Pathol. Pharmacol. 80(3) , 259-82, (1993) Bromobenzene is metabolized by the rat and guinea pig to 2-, 3- and 4-bromophenol. 3-Bromophenol is formed through the sulfur-series pathway to phenols. This route involves the enterohepatic circulation; the key intermediate is the S-(2-hydroxy-4-bromocyclohe... |
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Formation of phenol and thiocatechol metabolites from bromobenzene premercapturic acids through pyridoxal phosphate-dependent C-S lyase activity.
Biochem. Pharmacol. 45(12) , 2513-25, (1993) When N-acetyl-S-(2-hydroxy-4-bromocyclohexa-3,5-dienyl)-L-cystein e (4-S-premercapturic acid) and N-acetyl-S-(2-hydroxy-5-bromocyclohexa-3,5-dienyl)-L-cystein e (3-S-premercapturic acid) were used as substrates in incubations with Hartley guinea pig kidney 90... |
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Crystal structures of cyclomaltohexaose (alpha-cyclodextrin) complexes with p-bromophenol and m-bromophenol.
Carbohydr. Res. 332(2) , 235-40, (2001) Crystal structures of cyclomaltohexose (alpha-cyclodextrin) complexes with p-bromophenol and m-bromophenol have been determined by single-crystal X-ray diffraction. The space group of the alpha-cyclodextrin-p-bromophenol complex is P2(1)2(1)2(1) with unit cel... |
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Nickel-catalyzed cross-coupling of bromophenols with Grignard reagents in the solid phase synthesis.
Mol. Divers. 5(2) , 57-60, (2000) Polymer-bound substituted bromophenols were found to readily undergo a Ni(0)-catalyzed cross-coupling reaction with Grignard reagents to give a variety of substituted phenols and hydroquinones, after cleavage from the support, in moderate to high yields. The ... |
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Dihydroxylated mercapturic acid metabolites of bromobenzene.
Chem. Res. Toxicol. 5(4) , 561-7, (1992) Bromobenzene is metabolized to electrophilic epoxides and quinones which covalently bind to protein sulfur nucleophiles, yet no quinone-derived mercapturic acid metabolites of bromobenzene have been reported. To search for them, phenobarbital-induced Sprague-... |
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Inhibition of respiration in rabbit proximal tubules by bromophenols and 2-bromohydroquinone.
Adv. Exp. Med. Biol. 197 , 911-7, (1986)
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Influence of mercuric chloride on the metabolism and hepatotoxicity of bromobenzene in rats.
Environ. Res. 39(1) , 50-9, (1986) When male Sprague-Dawley rats were treated with 1 mg mercuric chloride (HgCl2)/kg, sc 6 hr prior to or simultaneously with a single 2.5-mmole/kg ip dose of bromobenzene and sacrificed 48 hr after the bromobenzene dose, the activities of serum transaminases (S... |
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Cellular toxicity of bromobenzene and bromobenzene metabolites to rabbit proximal tubules: the role and mechanism of 2-bromohydroquinone.
J. Pharmacol. Exp. Ther. 237(2) , 456-61, (1986) An in vitro model using a suspension of rabbit renal proximal tubules was developed to investigate the mechanism of nephrotoxicity of bromobenzene. Using oxygen consumption, glutathione concentrations and retention of lactate dehydrogenase activity as markers... |