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CAS No.: | 27296-77-1 |
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Name: | 4,6-DIMETHYL-3-HYDROXYPYRIDINE |
Molecular Structure: | |
Formula: | C7H9NO |
Molecular Weight: | 123.155 |
Synonyms: | 3-Hydroxy-4,6-dimethylpyridine;4,6-Dimethyl-3-pyridinol; |
Density: | 1.084g/cm3 |
Boiling Point: | 302.87 °C at 760 mmHg |
Flash Point: | 136.971 °C |
Hazard Symbols: | Xi |
Risk Codes: | 41 |
Safety: | 26-39 |
PSA: | 33.12000 |
LogP: | 1.40400 |
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The 3-Pyridinol,4,6-dimethyl-, with CAS registry number 27296-77-1, belongs to the following product category: Pyridines. It has the systematic name of 4,6-dimethylpyridin-3-ol. Besides this, it is also called 4,6-Dimethyl-3-hydroxypyridine. And the chemical formula of this chemical is C7H9NO.
Physical properties of 3-Pyridinol,4,6-dimethyl-: (1)ACD/LogP: 0.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 14; (8)ACD/KOC (pH 7.4): 42; (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: 1.544; (14)Molar Refractivity: 35.876 cm3; (15)Molar Volume: 113.637 cm3; (16)Polarizability: 14.222×10-24cm3; (17)Surface Tension: 43.431 dyne/cm; (18)Density: 1.084 g/cm3; (19)Flash Point: 136.971 °C; (20)Enthalpy of Vaporization: 56.482 kJ/mol; (21)Boiling Point: 302.87 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
Preparation: this chemical can be prepared by 4,6-dimethyl-pyridin-3-ylamine. This reaction will need reagents 10% aq. sulfuric acid, aq. sodium nitrite. The yield is about 51%.
Uses of 3-Pyridinol,4,6-dimethyl-: it can be used to produce 2,4-dimethyl-5-hydroxypyridine N-oxide. This reaction will need reagents 30%aq. hydrogen peroxide, glacial acetic acid. The reaction time is 9 hour(s) with reaction temperature of 80 ℃. The yield is about 37%.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cnc(C)cc1C
(2)InChI: InChI=1/C7H9NO/c1-5-3-6(2)8-4-7(5)9/h3-4,9H,1-2H3
(3)InChIKey: OICQOTPIZHVKQL-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C7H9NO/c1-5-3-6(2)8-4-7(5)9/h3-4,9H,1-2H3
(5)Std. InChIKey: OICQOTPIZHVKQL-UHFFFAOYSA-N