3,5-dibromoaniline

• ChemBase ID: 75697
• Molecular Formular: C6H5Br2N
• Molecular Mass: 250.9186
• Monoisotopic Mass: 248.87887317
• SMILES: Nc1cc(cc(c1)Br)Br
• Canonical SMILES: Nc1cc(Br)cc(c1)Br
• InChI: InChI=1S/C6H5Br2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2
• InChIKey: RVNUUWJGSOHMRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dibromoaniline
• IUPAC Traditional name: 3,5-dibromoaniline
• Synonyms: 1-Amino-3,5-dibromobenzene; 3,5-Dibromoaniline

Database IDs

• CAS Number: 626-40-4
• MDL Number: MFCD00047841
• PubChem SID: 162040615
• PubChem CID: 221512

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6808004
• LogD (pH = 7.4): 2.6818123
• Log P: 2.6818252
• Molar Refractivity: 46.004 cm^3
• Polarizability: 17.354198 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Keep Cold

Product Information

• Purity: 95+%