CAS No.380380-60-9,5-BROMO-2-(1H-TETRAZOL-5-YL)PYRIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	380380-60-9
Name:	5-BROMO-2-(1H-TETRAZOL-5-YL)PYRIDINE
Article Data:	18

Formula:	C₆H₄BrN₅
Molecular Weight:	226.03
Synonyms:	5-BROMO-2-(1H-TETRAZOL-5-YL)PYRIDINE;Pyridine, 5-broMo-2-(2H-tetrazol-5-yl)-;5-broMo-2-(2H-tetrazol-5-yl)pyridine;Tedizolid interMediate E;5-Bromo-2-(tetrazol-5-yl)pyridine
Density:	1.851 g/cm³
Boiling Point:	396.451 °C at 760 mmHg
Flash Point:	193.567 °C
PSA:	67.35000
LogP:	1.02420

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Specification

The CAS registry number of Pyridine, 5-bromo-2-(1H-tetrazol-5-yl)- is 380380-60-9. This chemical's molecular formula is C₆H₄BrN₅ and molecular weight is 226.03. What's more, both its IUPAC name and systematic name are the same which is called 5-Bromo-2-(1H-tetrazol-5-yl)pyridine.

Physical properties about Pyridine, 5-bromo-2-(1H-tetrazol-5-yl)- are: (1)ACD/LogP: 1.114; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.78; (4)ACD/LogD (pH 7.4): -0.89; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.24; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 67.35 Å²; (13)Index of Refraction: 1.665; (14)Molar Refractivity: 45.333 cm³; (15)Molar Volume: 122.12 cm³; (16)Polarizability: 17.971×10^-24cm³; (17)Surface Tension: 81.854 dyne/cm; (18)Density: 1.851 g/cm³; (19)Flash Point: 193.567 °C; (20)Enthalpy of Vaporization: 64.675 kJ/mol; (21)Boiling Point: 396.451 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cnc(cc1)c2nnnn2
(2) InChI: InChI=1S/C6H4BrN5/c7-4-1-2-5(8-3-4)6-9-11-12-10-6/h1-3H,(H,9,10,11,12)
(3) InChIKey: LBDJSOHAVRCQPD-UHFFFAOYSA-N