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| CAS No.: | 23056-46-4 |
|---|---|
| Name: | 2-BROMO-3-NITRO-5-METHYL PYRIDINE |
| Article Data: | 2 |
| Molecular Structure: | |
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|
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| Formula: | C6H5BrN2O2 |
| Molecular Weight: | 217.02 |
| Synonyms: | 3-Picoline,6-bromo-5-nitro- (8CI);2-Bromo-5-methyl-3-nitropyridine; |
| Density: | 1.709 g/cm3 |
| Boiling Point: | 276.699 °C at 760 mmHg |
| Flash Point: | 121.144 °C |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 58.71000 |
| LogP: | 2.58390 |
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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