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CAS No.: | 164513-38-6 |
---|---|
Name: | 5-BROMO-2-HYDROXY-4-METHYLPYRIDINE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C6H6BrNO |
Molecular Weight: | 188.024 |
Synonyms: | 2-Hydroxy-4-methyl-5-bromopyridine;5-Bromo-4-methylpyridin-2-ol; |
Density: | 1.656 g/cm3 |
Melting Point: | 198-202 °C(lit.) |
Boiling Point: | 339.893 °C at 760 mmHg |
Flash Point: | 159.362 °C |
Solubility: | Slightly soluble in water. |
Appearance: | light yellow powder |
Hazard Symbols: | Xn,Xi |
Risk Codes: | 22-37/38-41 |
Safety: | 26 |
PSA: | 33.12000 |
LogP: | 1.85810 |
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The 5-Bromo-2-hydroxy-4-methylpyridine, with the CAS registry number 164513-38-6, is also known as 5-Bromo-4-methylpyridin-2-ol. It belongs to the product categories of Blocks; Bromides; Pyridines; Pyridine. This chemical's molecular formula is C6H6BrNO and molecular weight is 188.02. What's more, its systematic name is 5-Bromo-4-methyl-2(1H)-pyridinone. This chemical should be sealed and stored in a cool and dry place.
Physical properties of 5-Bromo-2-hydroxy-4-methylpyridine are: (1)ACD/LogP: 2.253; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.64; (4)ACD/LogD (pH 7.4): 1.64; (5)ACD/BCF (pH 5.5): 7.41; (6)ACD/BCF (pH 7.4): 7.37; (7)ACD/KOC (pH 5.5): 97.77; (8)ACD/KOC (pH 7.4): 97.26; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 33.12 Å2; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 38.741 cm3; (15)Molar Volume: 113.547 cm3; (16)Polarizability: 15.358×10-24cm3; (17)Surface Tension: 51.8 dyne/cm; (18)Density: 1.656 g/cm3; (19)Flash Point: 159.362 °C; (20)Enthalpy of Vaporization: 60.649 kJ/mol; (21)Boiling Point: 339.893 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Uses of 5-Bromo-2-hydroxy-4-methylpyridine: it can be used to produce 3-bromo-6-methoxy-4-methylpyridine at the temperature of 60 °C. It will need reagent silver carbonate and solvent benzene with the reaction time of 3 hours. The yield is about 74%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes and skin. It has a risk of serious damage to eyes and is harmful if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Br/C1=C/NC(=O)/C=C1C
(2)Std. InChI: InChI=1S/C6H6BrNO/c1-4-2-6(9)8-3-5(4)7/h2-3H,1H3,(H,8,9)
(3)Std. InChIKey: BYGNXKDNIFHZHQ-UHFFFAOYSA-N