2,4,6-Tribromoanisole - CAS 607-99-8
Catalog: |
BB030813 |
Product Name: |
2,4,6-Tribromoanisole |
CAS: |
607-99-8 |
Synonyms: |
1,3,5-tribromo-2-methoxybenzene |
IUPAC Name: | 1,3,5-tribromo-2-methoxybenzene |
Description: | 2,4,6-Tribromoanisole (CAS# 607-99-8) is haloanisole often present in wine. 2,4,6-Tribromoanisole is one of the main agent responsible for the musty odor in wine sample. |
Molecular Weight: | 344.83 |
Molecular Formula: | C7H5Br3O |
Canonical SMILES: | COC1=C(C=C(C=C1Br)Br)Br |
InChI: | InChI=1S/C7H5Br3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3 |
InChI Key: | YXTRCOAFNXQTKL-UHFFFAOYSA-N |
Boiling Point: | 297 °C |
Melting Point: | 88 °C |
Density: | 2.128 g/cm3 |
Solubility: | Slightly soluble in ethanol; very soluble in acetone and benzene; soluble in carbon tetrachloride |
Appearance: | Needles from ethanol |
MDL: | MFCD00192510 |
LogP: | 3.98270 |
Vapor Pressure: | 5.38X10-4 mm Hg at 25 °C (est) |
Publication Number | Title | Priority Date |
CN-112098558-A | Method for simultaneously determining various cork pollutants in wine | 20200921 |
JP-2021153417-A | Sea urchin flavoring agent | 20200325 |
CN-112142769-A | Silicon-containing polyphenyl monomolecular resin and photoresist composition thereof | 20190627 |
WO-2020259126-A1 | Silicon-containing polyphenyl monomolecular resin and photoresist composition thereof | 20190627 |
WO-2020252334-A1 | Sake replicas produced from individual components | 20190613 |
PMID | Publication Date | Title | Journal |
23000180 | 20121102 | Method development and validation for the determination of 2,4,6-tribromoanisole, 2,4,6-tribromophenol, 2,4,6-trichloroanisole, and 2,4,6-trichlorophenol in various drug products using stir bar sorptive extraction and gas chromatography-tandem mass spectrometry detection | Journal of chromatography. A |
22704882 | 20120727 | Optimisation of ultrasound-assisted emulsification microextraction method with solidification of floating organic drop for the analysis of cork taint responsible compounds in wine | Journal of chromatography. A |
22608775 | 20120629 | Optimisation of a sensitive method based on ultrasound-assisted emulsification-microextraction for the simultaneous determination of haloanisoles and volatile phenols in wine | Journal of chromatography. A |
22326186 | 20120316 | Development of an ultrasound-assisted emulsification-microextraction method for the determination of the main compounds causing cork taint in wines | Journal of chromatography. A |
22056239 | 20120224 | Trace level analysis of corky off-flavor compounds: development of a new analytical method based on solid phase extraction and analysis by multidimensional gas chromatography with mass spectrometric detection | Journal of chromatography. A |
Complexity: | 119 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 343.787 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 341.78905 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 9.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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