5-Bromo-2-methyl-3-nitroaniline

Base Information

• Chemical Name: 5-Bromo-2-methyl-3-nitroaniline
• CAS No.: 864550-40-3
• Molecular Formula: C₇H₇BrN₂O₂
• Molecular Weight: 231.049
• Hs Code.: 2921430090
• European Community (EC) Number: 832-643-5
• DSSTox Substance ID: DTXSID00596291
• Wikidata: Q72447473
• Mol file: 864550-40-3.mol

Synonyms:5-Bromo-2-methyl-3-nitroaniline;864550-40-3;2-Amino-4-bromo-6-nitrotoluene;MFCD07781362;SCHEMBL5203487;AMY7260;DTXSID00596291;OOKFCQHMHNKVKJ-UHFFFAOYSA-N;2-amino-4-bromo-6-nitro-toluene;5-bromo-2-methyl-3-nitrobenzenamine;5-Bromo-2-methyl-3-nitro-phenylamine;AKOS016011180;CS-W003428;AC-31961;AS-20090;Benzenamine, 5-bromo-2-methyl-3-nitro-;SY016733;DB-076643;EN300-189444;A854770

Chemical Property of 5-Bromo-2-methyl-3-nitroaniline

Chemical Property:

• Boiling Point: 348.0±37.0 °C(Predicted)
• PKA: 1.08±0.10(Predicted)
• PSA: 71.84000
• Density: 1.698
• LogP: 3.35230
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 229.96909
• Heavy Atom Count: 12
• Complexity: 183

Purity/Quality:

98% purity ^*data from raw suppliers

5-Bromo-2-methyl-3-nitroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1[N+](=O)[O-])Br)N