CAS No.186593-42-0,3-BROMO-2-METHYL-5-NITROPYRIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	186593-42-0
Name:	3-BROMO-2-METHYL-5-NITROPYRIDINE
Article Data:	10

Formula:	C₆H₅BrN₂O₂
Molecular Weight:	217.022
Synonyms:	3-Bromo-5-Nitro-2-Picoline;
Density:	1.709 g/cm³
Boiling Point:	270.586 °C at 760 mmHg
Flash Point:	117.447 °C
PSA:	58.71000
LogP:	2.58390

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Specification

The Pyridine,3-bromo-2-methyl-5-nitro-, with the CAS registry number 186593-42-0, is also known as 3-Bromo-5-Nitro-2-Picoline. This chemical's molecular formula is C₆H₅BrN₂O₂ and molecular weight is 217.02. What's more, both its IUPAC name and systematic name are the same which is called 3-Bromo-2-methyl-5-nitropyridine.

Physical properties about Pyridine,3-bromo-2-methyl-5-nitro- are: (1)ACD/LogP: 1.854; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.85; (4)ACD/LogD (pH 7.4): 1.85; (5)ACD/BCF (pH 5.5): 15.10; (6)ACD/BCF (pH 7.4): 15.10; (7)ACD/KOC (pH 5.5): 242.93; (8)ACD/KOC (pH 7.4): 242.93; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.71 Å²; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 43.405 cm³; (15)Molar Volume: 126.959 cm³; (16)Polarizability: 17.207×10^-24cm³; (17)Surface Tension: 54.56 dyne/cm; (18)Density: 1.709 g/cm³; (19)Flash Point: 117.447 °C; (20)Enthalpy of Vaporization: 48.829 kJ/mol; (21)Boiling Point: 270.586 °C at 760 mmHg; (22)Vapour Pressure: 0.011 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(cnc1C)N(=O)=O
(2) InChI: InChI=1S/C6H5BrN2O2/c1-4-6(7)2-5(3-8-4)9(10)11/h2-3H,1H3
(3) InChIKey: QWAOQTGMEGSRLN-UHFFFAOYSA-N