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2,5-Dichloro-4-hydroxypyridine

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Name

2,5-Dichloro-4-hydroxypyridine

EINECS
CAS No. 343781-57-7 Density 1.52 g/cm3
Solubility Melting Point
Formula C5H3Cl2NO Boiling Point 242.9 °C at 760 mmHg
Molecular Weight 163.99 Flash Point 100.7 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 343781-57-7 (2,5-Dichloro-4-hydroxypyridine) Hazard Symbols
Synonyms

2,5-Dichloropyridin-4-ol;4(1H)-Pyridinone,2,5-dichloro-;2,5-Dichloropyridin-4(1H)-one;

 

2,5-Dichloro-4-hydroxypyridine Specification

The 2,5-Dichloro-4-hydroxypyridine, with the CAS registry number 343781-57-7, is also known as 2,5-Dichloropyridin-4-ol. It belongs to the product categories of Halide; Pyridine. This chemical's molecular formula is C5H3Cl2NO and molecular weight is 163.99. What's more, its systematic name is 2,5-dichloropyridin-4(1H)-one. 

Physical properties of 2,5-Dichloro-4-hydroxypyridine are: (1)ACD/LogP: -0.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.63; (4)ACD/LogD (pH 7.4): -1.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10.71; (8)ACD/KOC (pH 7.4): 2.98; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 35.94 cm3; (15)Molar Volume: 107.2 cm3; (16)Surface Tension: 46.3 dyne/cm; (17)Density: 1.52 g/cm3; (18)Flash Point: 100.7 °C; (19)Enthalpy of Vaporization: 47.99 kJ/mol; (20)Boiling Point: 242.9 °C at 760 mmHg; (21)Vapour Pressure: 0.0331 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,5-dichloro-pyridine. It's a two-step reaction with the temperature of -75 °C and 25 °C respectively. This reaction will need reagent butyllithium, fluorodimethoxyborane-diethyl ether, 35% aq. H2O2, NaOH and solvent tetrahydrofuran, hexane with the reaction time of 2 hours respectively. This reaction will also need catalyst N,N,N',N'',N''-pentamethyldiethylenetriamine. The yield is about 69%.

Uses of 2,5-Dichloro-4-hydroxypyridine: it can be used to produce 3,6-dichloro-4-oxo-1,4-dihydro-pyridine-2-carboxylic acid. It will need reagent tert-butyllithium and solvent pentane with the reaction time of 2 hours. It's a two-step reaction with the temperature of -75 °C and -78 °C respectively. The yield is about 58%.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl/C1=C/NC(/Cl)=C\C1=O
(2)InChI: InChI=1S/C5H3Cl2NO/c6-3-2-8-5(7)1-4(3)9/h1-2H,(H,8,9)
(3)InChIKey: RJKYZTVQNJPAGX-UHFFFAOYSA-N

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