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23003-35-2

23003-35-2 Structure

23003-35-2 Structure
IdentificationBack 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 PropertiesBack 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
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[Risk Statements ]

36/37/38
[Safety Statements ]

24/25
[HS Code ]

29333990
Raw materials And Preparation ProductsBack Directory
Hazard InformationBack 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.
2-Bromo-3-hydroxy-6-methylpyridine
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