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Name |
3-Pyridinol,2,4-dibromo-6-methyl- |
EINECS | N/A |
CAS No. | 23003-29-4 | Density | 2.057 g/cm3 |
PSA | 33.12000 | LogP | 2.62060 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H5Br2NO | Boiling Point | 321.1 °C at 760 mmHg |
Molecular Weight | 266.92 | Flash Point | 148 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,4-DIBROMO-3-HYDROXY-6-PICOLINE;2,4-Dibromo-3-hydroxy-6-methylpyridine;2,4-DibroMo-6-Methylpyridin-3-ol |
Article Data | 3 |
The 3-Pyridinol,2,4-dibromo-6-methyl-, with the CAS registry number of 23003-29-4, is also known as 2,4-Dibromo-6-methyl-3-pyridinol. It belongs to the product category of Pyridine. This chemical's molecular formula is C6H5Br2NO and molecular weight is 266.918. What's more, its systematic name is 2,4-Dibromo-6-methylpyridin-3-ol.
Physical properties about the 3-Pyridinol,2,4-dibromo-6-methyl-are: (1)ACD/LogP: 3.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.84; (4)ACD/LogD (pH 7.4): 1.3; (5)ACD/BCF (pH 5.5): 73.52; (6)ACD/BCF (pH 7.4): 2.1; (7)ACD/KOC (pH 5.5): 634.76; (8)ACD/KOC (pH 7.4): 18.12; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.12 Å2; (13)Index of Refraction: 1.634; (14)Molar Refractivity: 46.43 cm3; (15)Molar Volume: 129.7 cm3; (16)Surface Tension: 56.1 dyne/cm; (17)Density: 2.057 g/cm3; (18)Flash Point: 148 °C; (19)Enthalpy of Vaporization: 58.52 kJ/mol; (20)Boiling Point: 321.1 °C at 760 mmHg; (21)Vapour Pressure: 0.000163 mmHg at 25 °C.
Uses: it is used to produce other chemicals. For example, it is used to produce 2-Bromo-6-methyl-pyridin-3-ol. This reaction needs reagent H2O. The reaction temperature is -90 °C. The yield is about 35 %.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(C)nc(Br)c1O
(2) InChI: InChI=1/C6H5Br2NO/c1-3-2-4(7)5(10)6(8)9-3/h2,10H,1H3
(3) InChIKey: BUEXQMBXOSVCIO-UHFFFAOYAI