2,6-Dibromophenol - CAS 608-33-3
Catalog: |
BB030827 |
Product Name: |
2,6-Dibromophenol |
CAS: |
608-33-3 |
Synonyms: |
2,6-dibromophenol |
IUPAC Name: | 2,6-dibromophenol |
Description: | 2,6-Dibromophenol (CAS# 608-33-3) is a derivative of Phenoxymethylpiperidines, used for the preparation of pharmaceutical compounds having therapeutic properties. |
Molecular Weight: | 251.90 |
Molecular Formula: | C6H4Br2O |
Canonical SMILES: | C1=CC(=C(C(=C1)Br)O)Br |
InChI: | InChI=1S/C6H4Br2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H |
InChI Key: | SSIZLKDLDKIHEV-UHFFFAOYSA-N |
Boiling Point: | 255-256 °C (740 mmHg) |
Melting Point: | 56.5 °C |
Purity: | 98 % |
Density: | 2.095 g/cm3 |
Solubility: | Very soluble in ethanol, ether |
Appearance: | White crystals or needles |
Decomposition: | Hazardous decomposition products: carbon monoxide, Carbon dioxide, Hydrogen bromide gas |
MDL: | MFCD00002152 |
LogP: | 2.91720 |
Vapor Pressure: | 1.34X10-3 mm Hg at 25 °C (est) |
GHS Hazard Statement: | H302 (95.83%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
21870805 | 20111018 | Substrate specificity of Sphingobium chlorophenolicum 2,6-dichlorohydroquinone 1,2-dioxygenase | Biochemistry |
21800903 | 20110908 | Hydrogen bonding effects on the wavenumbers and absorption intensities of the OH fundamental and the first, second, and third overtones of phenol and 2,6-dihalogenated phenols studied by visible/near-infrared/infrared spectroscopy | The journal of physical chemistry. A |
20721797 | 20101001 | Oxidative degradation of 2,6-dibromophenol using anion-exchange resin supported supramolecular catalysts of iron(III)-5,10,15,20-tetrakis (p-hydroxyphenyl)porphyrin bound to humic acid prepared via formaldehyde and urea-formaldehyde polycondensation | Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering |
20043671 | 20100203 | A substructure combination strategy to create potent and selective transthyretin kinetic stabilizers that prevent amyloidogenesis and cytotoxicity | Journal of the American Chemical Society |
20065618 | 20091201 | [Analysis of 2,4-dibromophenol and 2,6-dibromophenol in phenolic-smelling flatfish] | Shokuhin eiseigaku zasshi. Journal of the Food Hygienic Society of Japan |
Complexity: | 87.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.86084 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.86289 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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