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| CAS No.: | 15862-30-3 |
|---|---|
| Name: | 3-BROMO-5-NITROPYRIDINE |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C5H3BrN2O2 |
| Molecular Weight: | 202.995 |
| Synonyms: | 3-BROMO-5-NITROPYRIDINE;2-BROMO-5-NITROPYRIDINE ,98%;Pyridine,3-broMo-5-nitro- |
| EINECS: | 224-777-2 |
| Density: | 1.833 g/cm3 |
| Melting Point: | 137-141℃ |
| Boiling Point: | 251.6 °C at 760 mmHg |
| Flash Point: | 106 °C |
| Hazard Symbols: | R20/21/22:; R36/37/38:; |
| Risk Codes: | Xn:Harmful; ">  Xn:Harmful; |
| Safety: | 26-39-45 |
| PSA: | 58.71000 |
| LogP: | 2.27550 |
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Specification
The IUPAC name of 3-Bromo-5-nitropyridine is 3-bromo-5-nitropyridine. With the CAS registry number 15862-30-3, it is also named as Pyridine,3-bromo-5-nitro-. The product's categories are Pyridine; Pyridines. Besides, it should be stored at room temperature. In addition, its molecular formula is C5H3BrN2O2 and molecular weight is 202.99.
The other characteristics of 3-Bromo-5-nitropyridine can be summarized as: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.39; (4)ACD/LogD (pH 7.4): 1.39; (5)ACD/BCF (pH 5.5): 6.75; (6)ACD/BCF (pH 7.4): 6.75; (7)ACD/KOC (pH 5.5): 136.52; (8)ACD/KOC (pH 7.4): 136.52; (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: 1.614; (14)Molar Refractivity: 38.57 cm3; (15)Molar Volume: 110.6 cm3; (16)Polarizability: 15.29×10-24cm3; (17)Surface Tension: 59.4 dyne/cm; (18)Density: 1.833 g/cm3; (19)Flash Point: 106 °C; (20)Enthalpy of Vaporization: 46.91 kJ/mol; (21)Boiling Point: 251.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0322 mmHg at 25 °C.
Uses of 3-Bromo-5-nitropyridine: it can be used to produce 3-nitro-pyridine.
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This reaction needs copper and dimethylformamide by heating for 4 hours. The yield is 92 %.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=[N+]([O-])c1cncc(Br)c1
(2)InChI: InChI=1/C5H3BrN2O2/c6-4-1-5(8(9)10)3-7-2-4/h1-3H
(3)InChIKey: WHYJVHQKKJHXTB-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C5H3BrN2O2/c6-4-1-5(8(9)10)3-7-2-4/h1-3H
(5)Std. InChIKey: WHYJVHQKKJHXTB-UHFFFAOYSA-N