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CAS No.: | 68957-50-6 |
---|---|
Name: | 5-bromo-6-methyl-3-nitropyridin-2-amine |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C6H6BrN3O2 |
Molecular Weight: | 232.037 |
Synonyms: | 2-Amino-5-bromo-6-methyl-3-nitropyridine;2-Picoline,6-amino-3-bromo-5-nitro- (6CI);3-Bromo-5-nitro-6-amino-2-picoline;5-Bromo-6-methyl-3-nitropyridin-2-amine; |
EINECS: | 273-342-3 |
Density: | 1.795 g/cm3 |
Boiling Point: | 316 °C at 760 mmHg |
Flash Point: | 144.9 °C |
Risk Codes: | 20/21/22-37/38-33 |
Safety: | 7/8-26-36/37/39-45 |
PSA: | 84.73000 |
LogP: | 2.74730 |
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The CAS register number of 2-Pyridinamine,5-bromo-6-methyl-3-nitro- is 68957-50-6. It also can be called as 2-Amino-5-bromo-6-methyl-3-nitropyridine and the systematic name about this chemical is 5-bromo-6-methyl-3-nitropyridin-2-amine. The molecular formula about this chemical is C6H6BrN3O2 and the molecular weight is 232.03474. It belongs to the following product categorie which include Pyridine.
Physical properties about 2-Pyridinamine,5-bromo-6-methyl-3-nitro- are: (1)ACD/LogP: 3.25; (2)ACD/LogD (pH 5.5): 3.25; (3)ACD/LogD (pH 7.4): 3.25; (4)ACD/BCF (pH 5.5): 173.89; (5)ACD/BCF (pH 7.4): 173.89; (6)ACD/KOC (pH 5.5): 1397; (7)ACD/KOC (pH 7.4): 1397.01; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 61.95 Å2; (12)Index of Refraction: 1.658; (13)Molar Refractivity: 47.64 cm3; (14)Molar Volume: 129.2 cm3; (15)Polarizability: 18.88x10-24cm3; (16)Surface Tension: 67.8 dyne/cm; (17)Density: 1.795 g/cm3; (18)Flash Point: 144.9 °C; (19)Enthalpy of Vaporization: 55.73 kJ/mol; (20)Boiling Point: 316 °C at 760 mmHg; (21)Vapour Pressure: 0.000421 mmHg at 25 °C.
Uses of 2-Pyridinamine,5-bromo-6-methyl-3-nitro-: it can be used to produce 5-bromo-6-methyl-3-nitro-1H-pyridin-2-one. This reaction will need reagent of NaNO2, conc. H2SO4. The reaction time is 30 min with reaction temperature of 0 °C. The yield is about 80%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(Br)c(nc1N)C
(2)InChI: InChI=1/C6H6BrN3O2/c1-3-4(7)2-5(10(11)12)6(8)9-3/h2H,1H3,(H2,8,9)
(3)InChIKey: CRELZBHEKSIUDR-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C6H6BrN3O2/c1-3-4(7)2-5(10(11)12)6(8)9-3/h2H,1H3,(H2,8,9)
(5)Std. InChIKey: CRELZBHEKSIUDR-UHFFFAOYSA-N