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CAS No.: | 23003-35-2 |
---|---|
Name: | 2-Bromo-3-hydroxy-6-methylpyridine |
Article Data: | 27 |
Molecular Structure: | |
Formula: | C6H6BrNO |
Molecular Weight: | 188.024 |
Synonyms: | 2-Bromo-3-hydroxy-6-methylpyridine;2-Bromo-6-methylpyridin-3-ol; |
Density: | 1.656 g/cm3 |
Melting Point: | 186-187 °C |
Boiling Point: | 311.781 °C at 760 mmHg |
Flash Point: | 142.361 °C |
Risk Codes: | 36/37/38 |
Safety: | 24/25 |
PSA: | 33.12000 |
LogP: | 1.85810 |
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The 2-Bromo-3-hydroxy-6-methylpyridine, with the CAS registry number 23003-35-2, has the systematic name and IUPAC name of 2-bromo-6-methylpyridin-3-ol. It belongs to the product category of Pyridine. And the molecular formula of the chemical is C6H6BrNO.
The characteristics of 2-Bromo-3-hydroxy-6-methylpyridine are as followings: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 33.12 Å2; (7)Index of Refraction: 1.598; (8)Molar Refractivity: 38.741 cm3; (9)Molar Volume: 113.547 cm3; (10)Polarizability: 15.358×10-24cm3; (11)Surface Tension: 51.769 dyne/cm; (12)Density: 1.656 g/cm3; (13)Flash Point: 142.361 °C; (14)Enthalpy of Vaporization: 57.476 kJ/mol; (15)Boiling Point: 311.781 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1nc(ccc1O)C
(2)InChI: InChI=1/C6H6BrNO/c1-4-2-3-5(9)6(7)8-4/h2-3,9H,1H3
(3)InChIKey: UHMANLXCLQNQJD-UHFFFAOYAT