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| CAS No.: | 130284-56-9 |
|---|---|
| Name: | 2-Bromo-3-chloro-5-hydroxypyridine |
| Molecular Structure: | |
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| Formula: | C5H3BrClNO |
| Molecular Weight: | 208.442 |
| Synonyms: | 6-bromo-5-chloropyridin-3-ol |
| Density: | 1.908g/cm3 |
| Boiling Point: | 386.576 °C at 760 mmHg |
| Flash Point: | 187.595 °C |
| PSA: | 33.12000 |
| LogP: | 2.20310 |
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Specification
The 2-Bromo-3-chloro-5-hydroxypyridine, with CAS registry number 130284-56-9, belongs to the following product category: Pyridine. It has the systematic name of 6-bromo-5-chloro-pyridin-3-ol. Besides this, it is also called 2-Bromo-3-chloro-5-hydroxypyridine. And the chemical formula of this chemical is C5H3BrClNO.
Physical properties of 2-Bromo-3-chloro-5-hydroxypyridine: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.924; (4)ACD/LogD (pH 7.4): 1.269; (5)ACD/BCF (pH 5.5): 16.888; (6)ACD/BCF (pH 7.4): 3.739; (7)ACD/KOC (pH 5.5): 259.798; (8)ACD/KOC (pH 7.4): 57.511; (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: 1.629; (14)Molar Refractivity: 38.811 cm3; (15)Molar Volume: 109.223 cm3; (16)Polarizability: 15.386×10-24cm3; (17)Surface Tension: 59.07 dyne/cm; (18)Density: 1.908 g/cm3; (19)Flash Point: 187.595 °C; (20)Enthalpy of Vaporization: 66.039 kJ/mol; (21)Boiling Point: 386.576 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Preparation: this chemical can be prepared by acetic acid 6-bromo-5-chloro-pyridin-3-yl ester. This reaction will need reagent 2 N KOH. The reaction time is 30 min with reaction temperature of 5 ℃. The yield is about 60%.
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You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cnc(c1Cl)Br)O
(2)InChI: InChI=1/C5H3BrClNO/c6-5-4(7)1-3(9)2-8-5/h1-2,9H
(3)InChIKey: DHKTYYVUEJTFHF-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C5H3BrClNO/c6-5-4(7)1-3(9)2-8-5/h1-2,9H
(5)Std. InChIKey: DHKTYYVUEJTFHF-UHFFFAOYSA-N