2-Bromo-4-methyl-5-nitrobenzenamine
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2-Bromo-4-methyl-5-nitrobenzenamine
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CAS No:
102169-99-3
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Formula:
C7H7BrN2O2
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Chemical Name:
2-Bromo-4-methyl-5-nitrobenzenamine
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Synonyms:
Benzenamine,2-bromo-4-methyl-5-nitro-;p-Toluidine,2-bromo-5-nitro-;2-Bromo-4-methyl-5-nitrobenzenamine;2-Bromo-4-methyl-5-nitroaniline
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CAS No:
Characteristics
71.8
2.1
1.698±0.06 g/cm3(Predicted)
119-120 °C @ Solvent: Ethyl acetate, Hexane
336.8±37.0 °C(Predicted)
2-Bromo-4-methyl-5-nitrobenzenamine Use and Manufacturing
2-Bromo-4-methylaniline (23.8 g) was dissolved in concentrated sulfuric acid (119 mL), urea nitrate (15 g) was added in small portions at 10°C or lower, and the mixture was stirred at 0°C for 10 minutes. Methanesulfonyl chloride (5.25 g, 45.7 mmol) was added dropwise to a solution of 2- bromo-4-methyl-5-nitroaniline (Int 7a) (3.00 g, 13.0 mmol) and TEA (4.61 g, 45.7 mmol) in DCM (50 ml_) at 0 C. The mixture was allowed to warm to rt and stirred overnight. The mixture was concentrated to dryness and the residue was purified by column chromatography (gradient 5-100% EtOAc in DCM) to give the title compound as a yellow solid.
Computed Properties
Molecular Weight:231.05
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:229.96909
Monoisotopic Mass:229.96909
Topological Polar Surface Area:71.8
Heavy Atom Count:12
Complexity:183
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-Bromo-4-methyl-5-nitrobenzenamine
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