Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Bromo-6-methyl-5-nitropyridine |
EINECS | N/A |
CAS No. | 22282-96-8 | Density | 1.709 g/cm3 |
PSA | 58.71000 | LogP | 2.58390 |
Solubility | N/A | Melting Point |
69-70 °C |
Formula | C6H5BrN2O2 | Boiling Point | 274 °C at 760 mmHg |
Molecular Weight | 217.022 | Flash Point | 119.5 °C |
Transport Information | N/A | Appearance | Yellow solid |
Safety | 26-39 | Risk Codes | 22-37/38-41 |
Molecular Structure | Hazard Symbols | T, Xi | |
Synonyms |
6-Bromo-2-methyl-3-nitropyridine;2-Picoline,6-bromo-3-nitro- (8CI); |
Article Data | 2 |
The 2-Bromo-6-methyl-5-nitropyridine is an organic compound with the formula C6H5BrN2O2. The IUPAC name of this chemical is 6-bromo-2-methyl-3-nitropyridine. With the CAS registry number 22282-96-8, it is also named as Pyridine, 6-bromo-2-methyl-3-nitro-. The product's categories are Pyridine; Pyridines; Heterocyclic Compounds; Heterocycles; Boronic Acid. It is a kind of yellow solid. In addition, the molecular weight is 217.02.
The other characteristics of 2-Bromo-6-methyl-5-nitropyridine can be summarized as: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.66; (4)ACD/LogD (pH 7.4): 1.66; (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: 17.2×10-24 cm3; (13)Surface Tension: 54.5 dyne/cm; (14)Density: 1.709 g/cm3; (15)Flash Point: 119.5 °C; (16)Enthalpy of Vaporization: 49.17 kJ/mol; (17)Boiling Point: 274 °C at 760 mmHg; (18)Vapour Pressure: 0.0093 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:O=[N+]([O-])c1ccc(Br)nc1C
2. InChI:InChI=1/C6H5BrN2O2/c1-4-5(9(10)11)2-3-6(7)8-4/h2-3H,1H3
3. InChIKey:PCNVKBBKROTUNS-UHFFFAOYAX
4. Std. InChI:InChI=1S/C6H5BrN2O2/c1-4-5(9(10)11)2-3-6(7)8-4/h2-3H,1H3
5. Std. InChIKey:PCNVKBBKROTUNS-UHFFFAOYSA-N