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6602-34-2

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Basic Information
CAS No.: 6602-34-2
Name: 2,4,6-TRIBROMO-3-PYRIDINOL
Article Data: 5
Molecular Structure:
Molecular Structure of 6602-34-2 (2,4,6-TRIBROMO-3-PYRIDINOL)
Formula: C5H2Br3NO
Molecular Weight: 331.789
Synonyms: 2,4,6-Tribromo-3-pyridinol;
EINECS: 229-549-6
Density: 2.559 g/cm3
Boiling Point: 364.2 °C at 760 mmHg
Flash Point: 174.1 °C
PSA: 33.12000
LogP: 3.07470
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Specification

The 2,4,6-Tribromo-3-hydroxypyridine, with cas registry number 6602-34-2, belongs to the following product categories: (1)pharmacetical; (2)Pyridines. Its systematic name and its IUPAC name are the same, which is 2,4,6-tribromopyridin-3-ol. Besides this, it is also called 3-pyridinol, 2,4,6-tribromo-.

Physical properties about this chemical are: (1)ACD/LogP: 3.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.7; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 40.45; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 274.06; (8)ACD/KOC (pH 7.4): 5.44; (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: 1.685; (14)Molar Refractivity: 49.29 cm3; (15)Molar Volume: 129.6 cm3; (16)Polarizability: 19.54×10-24cm3; (17)Surface Tension: 64.8 dyne/cm; (18)Enthalpy of Vaporization: 63.44 kJ/mol; (19)Vapour Pressure: 8.17E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: Brc1cc(Br)nc(Br)c1O
(2)InChI: InChI=1/C5H2Br3NO/c6-2-1-3(7)9-5(8)4(2)10/h1,10H
(3)InChIKey: CJJDOBAYAHWINI-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C5H2Br3NO/c6-2-1-3(7)9-5(8)4(2)10/h1,10H
(5)Std. InChIKey: CJJDOBAYAHWINI-UHFFFAOYSA-N