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2-Bromo-3-chloro-5-hydroxypyridine

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Name

2-Bromo-3-chloro-5-hydroxypyridine

EINECS N/A
CAS No. 130284-56-9 Density 1.908g/cm3
PSA 33.12000 LogP 2.20310
Solubility N/A Melting Point N/A
Formula C5H3BrClNO Boiling Point 386.576 °C at 760 mmHg
Molecular Weight 208.442 Flash Point 187.595 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 130284-56-9 (2-Bromo-3-chloro-5-hydroxypyridine) Hazard Symbols N/A
Synonyms

6-bromo-5-chloropyridin-3-ol

 

2-Bromo-3-chloro-5-hydroxypyridine 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%.

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

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