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Pyridine,5-bromo-2-methyl-3-nitro- (911434-05-4)

Identification
Name:Pyridine,5-bromo-2-methyl-3-nitro-
Synonyms:5-Bromo-2-methyl-3-nitropyridine
CAS:911434-05-4
Molecular Formula: C6H5BrN2O2
Molecular Weight: 217.02
InChI: InChI=1/C6H5BrN2O2/c1-4-6(9(10)11)2-5(7)3-8-4/h2-3H,1H3
Molecular Structure: (C6H5BrN2O2) 5-Bromo-2-methyl-3-nitropyridine
Properties
Density:1.709
Refractive index:1.599
Specification:

The 5-Bromo-2-methyl-3-nitropyridine, with the CAS registry number 911434-05-4, is also called pyridine, 5-bromo-2-methyl-3-nitro-. It should be stored at dry and cool environment. And the molecular formula of the chemical is C6H5BrN2O2.

The characteristics of 5-Bromo-2-methyl-3-nitropyridine are as followings: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.85; (4)ACD/LogD (pH 7.4): 1.85; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 58.71 Å2; (9)Index of Refraction: 1.599; (10)Molar Refractivity: 43.4 cm3; (11)Molar Volume: 126.9 cm3; (12)Polarizability: 17.2×10-24cm3; (13)Surface Tension: 54.5 dyne/cm; (14)Density: 1.709 g/cm3; (15)Flash Point: 106.6 °C; (16)Enthalpy of Vaporization: 47.02 kJ/mol; (17)Boiling Point: 252.6 °C at 760 mmHg; (18)Vapour Pressure: 0.0305 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1c(cc(cn1)Br)[N+](=O)[O-]
(2)InChI: InChI=1/C6H5BrN2O2/c1-4-6(9(10)11)2-5(7)3-8-4/h2-3H,1H3
(3)InChIKey: FZZLWWNOYMHSIS-UHFFFAOYAD

Safety Data