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2-Bromo-5-methyl-3-nitropyridine

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Name

2-Bromo-5-methyl-3-nitropyridine

EINECS N/A
CAS No. 23056-46-4 Density 1.709 g/cm3
PSA 58.71000 LogP 2.58390
Solubility N/A Melting Point N/A
Formula C6H5BrN2O2 Boiling Point 276.699 °C at 760 mmHg
Molecular Weight 217.02 Flash Point 121.144 °C
Transport Information N/A Appearance N/A
Safety 26-37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 23056-46-4 (2-BROMO-3-NITRO-5-METHYL PYRIDINE) Hazard Symbols IrritantXi,HarmfulXn
Synonyms

3-Picoline,6-bromo-5-nitro- (8CI);2-Bromo-5-methyl-3-nitropyridine;

Article Data 2

2-Bromo-5-methyl-3-nitropyridine Specification

The 2-Bromo-5-methyl-3-nitropyridine with cas registry number of 23056-46-4, belongs to the following product categories: (1)Pyridine; (2)Boronic Acid. And it has the systematic name of 2-bromo-5-methyl-3-nitro-pyridine. Besides this, it is also called Pyridine, 2-bromo-5-methyl-3-nitro-.

Physical properties about this chemical are: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.63; (4)ACD/LogD (pH 7.4): 1.63; (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)Enthalpy of Vaporization: 49.45 kJ/mol; (15)Vapour Pressure: 0.00796 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 2-Bromo-5-methyl-3-nitropyridine irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
Besides this, it is harmful by inhalation, in contact with skin and if swallowed.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(C)cnc1Br
(2)InChI: InChI=1/C6H5BrN2O2/c1-4-2-5(9(10)11)6(7)8-3-4/h2-3H,1H3
(3)InChIKey: AESPBTFGZRRYRJ-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C6H5BrN2O2/c1-4-2-5(9(10)11)6(7)8-3-4/h2-3H,1H3
(5)Std. InChIKey: AESPBTFGZRRYRJ-UHFFFAOYSA-N

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