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3-Bromo-4-methyl-5-nitropyridine

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Name

3-Bromo-4-methyl-5-nitropyridine

EINECS N/A
CAS No. 69872-15-7 Density 1.709 g/cm3
PSA 58.71000 LogP 2.58390
Solubility N/A Melting Point 57-58 °C
Formula C6H5BrN2O2 Boiling Point 268.644 °C at 760 mmHg
Molecular Weight 217.022 Flash Point 116.272 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 69872-15-7 (3-Bromo-4-methyl-5-nitropyridine) Hazard Symbols N/A
Synonyms

3-Bromo-4-methyl-5-nitropyridine

Article Data 9

3-Bromo-4-methyl-5-nitropyridine Specification

The 3-Bromo-4-methyl-5-nitropyridine has CAS registry number 69872-15-7. This chemical's molecular formula is C6H5BrN2O2 and molecular weight is 217.0201. What's more, its systematic name is 3-Bromo-4-methyl-5-nitropyridine.

Physical properties about 3-Bromo-4-methyl-5-nitropyridine are: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 58.71 Å2; (7)Index of Refraction: 1.6; (8)Molar Refractivity: 43.405 cm3; (9)Molar Volume: 126.959 cm3; (10)Polarizability: 17.207×10-24 cm3; (11)Surface Tension: 54.557 dyne/cm; (12)Density: 1.709 g/cm3; (13)Flash Point: 116.272 °C; (14)Enthalpy of Vaporization: 48.632 kJ/mol; (15)Boiling Point: 268.644 °C at 760 mmHg; (16)Vapour Pressure: 0.013 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1c(cncc1Br)[N+]([O-])=O
(2) InChI: InChI=1/C6H5BrN2O2/c1-4-5(7)2-8-3-6(4)9(10)11/h2-3H,1H3
(3) InChIKey: WFCIQRPATFRBOY-UHFFFAOYAE

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