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3-Bromo-4-hydroxypyridine

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Name

3-Bromo-4-hydroxypyridine

EINECS N/A
CAS No. 36953-41-0 Density 1.776 g/cm3
PSA 33.12000 LogP 1.54970
Solubility N/A Melting Point 225-230℃
Formula C5H4BrNO Boiling Point 244.3 °C at 760 mmHg
Molecular Weight 173.997 Flash Point 101.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 36953-41-0 (3-Bromo-4-hydroxypyridine) Hazard Symbols N/A
Synonyms

3-Bromo-4-pyridinol;

Article Data 9

3-Bromo-4-hydroxypyridine Specification

This chemical is called 3-Bromo-4-hydroxypyridine, and its IUPAC name is 3-bromo-1H-pyridin-4-one. With the molecular formula of C5H4BrNO, its molecular weight is 173.99. The CAS registry number of this chemical is 36953-41-0. Additionally, its product categories are Pyridine; Pyridines.

Other characteristics of the 3-Bromo-4-hydroxypyridine can be summarised as followings: (1)ACD/LogP: -0.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.64; (4)ACD/LogD (pH 7.4): -0.65; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10.72; (8)ACD/KOC (pH 7.4): 10.51; (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: 1.6; (14)Molar Refractivity: 33.52 cm3; (15)Molar Volume: 97.9 cm3; (16)Polarizability: 13.29×10-24cm3; (17)Surface Tension: 48.4 dyne/cm; (18)Density: 1.776 g/cm3; (19)Flash Point: 101.6 °C; (20)Enthalpy of Vaporization: 48.14 kJ/mol; (21)Boiling Point: 244.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0306 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C1\C=C/N/C=C1/Br
2.InChI: InChI=1/C5H4BrNO/c6-4-3-7-2-1-5(4)8/h1-3H,(H,7,8)
3.InChIKey: JWHZKNRXTDYNJO-UHFFFAOYAJ

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