CAS No.55717-40-3,2-Bromo-5-hydroxypyridine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	55717-40-3
Name:	2-Bromo-5-hydroxypyridine
Article Data:	18

Formula:	C₅H₄BrNO
Molecular Weight:	173.997
Synonyms:	6-bromopyridin-3-ol;6-Bromo-3-pyridinol;
EINECS:	-0
Density:	1.789 g/cm³
Boiling Point:	373 °C at 760 mmHg
Flash Point:	179.4 °C
PSA:	33.12000
LogP:	1.54970

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Specification

The 3-Pyridinol, 6-bromo-,radical ion(1+) (9CI), with the CAS registry number 55717-40-3, has the systematic name and IUPAC name of 6-bromopyridin-3-ol. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₅H₄BrNO.

The characteristics of 3-Pyridinol, 6-bromo-,radical ion(1+) (9CI) are as followings: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.68; (4)ACD/LogD (pH 7.4): 1.52; (5)ACD/BCF (pH 5.5): 11.09; (6)ACD/BCF (pH 7.4): 7.75; (7)ACD/KOC (pH 5.5): 194.47; (8)ACD/KOC (pH 7.4): 135.83; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.12 Å²; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 33.91 cm³; (15)Molar Volume: 97.2 cm³; (16)Polarizability: 13.44×10^-24cm³; (17)Surface Tension: 56.7 dyne/cm; (18)Density: 1.788 g/cm³; (19)Flash Point: 179.4 °C; (20)Enthalpy of Vaporization: 64.46 kJ/mol; (21)Boiling Point: 373 °C at 760 mmHg; (22)Vapour Pressure: 4.3E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1ncc(O)cc1
(2)InChI: InChI=1/C5H4BrNO/c6-5-2-1-4(8)3-7-5/h1-3,8H
(3)InChIKey: PTEFNEALEPSHLC-UHFFFAOYAF