Identification | Back Directory | [Name]
2-Bromo-3-hydroxy-6-methylpyridine | [CAS]
23003-35-2 | [Synonyms]
2-BROMO-6-METHYL-3-PYRIDINOL 2-BROMO-3-HYDROXY-6-PICOLINE 2-BROMO-6-METHYLPYRIDIN-3-OL 3-Pyridinol, 2-bromo-6-methyl- 2-Bromo-6-methyl-3-pyridinol ,97% 2-Bromo-3-hydroxy-6-methylpyridine 2-Bromo-3-hydroxy-6-methylpyridine ISO 9001:2015 REACH 2-Bromo-6-methylpyridin-3-ol, 6-Bromo-5-hydroxy-2-picoline | [Molecular Formula]
C6H6BrNO | [MDL Number]
MFCD06655956 | [MOL File]
23003-35-2.mol | [Molecular Weight]
188.02 |
Chemical Properties | Back Directory | [Melting point ]
186-187 °C | [Boiling point ]
311.8±37.0 °C(Predicted) | [density ]
1.655±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,Room Temperature | [pka]
4.66±0.10(Predicted) | [InChI]
InChI=1S/C6H6BrNO/c1-4-2-3-5(9)6(7)8-4/h2-3,9H,1H3 | [InChIKey]
UHMANLXCLQNQJD-UHFFFAOYSA-N | [SMILES]
C1(Br)=NC(C)=CC=C1O |
Hazard Information | Back Directory | [Chemical Properties]
White solid | [Synthesis Reference(s)]
Tetrahedron, 61, p. 4569, 2005 DOI: 10.1016/j.tet.2005.03.008 | [Structure and conformation]
In the compound C6H6BrNO (2-Bromo-3-hydroxy-6-methylpyridine), the Br atom is displaced from the pyridine ring mean plane by 0.0948Å, while the hydroxyl O atom and the methyl C atom are displaced by 0.0173 and 0.015Å, respectively. In the crystal, mol-ecules are linked via O—H…N hydrogen bonds, forming chains propagating along the a-axis direction. These chains are linked by C—H?Br hydrogen bonds, forming corrugated two-dimensional networks lying parallel to the ac plane.
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