2-bromo-3,5-dichloroaniline

• ChemBase ID: 69032
• Molecular Formular: C6H4BrCl2N
• Molecular Mass: 240.91266
• Monoisotopic Mass: 238.89041649
• SMILES: c1(c(c(cc(c1)Cl)Cl)Br)N
• Canonical SMILES: Clc1cc(N)c(c(c1)Cl)Br
• InChI: InChI=1S/C6H4BrCl2N/c7-6-4(9)1-3(8)2-5(6)10/h1-2H,10H2
• InChIKey: RPQNMASFJWYHNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-3,5-dichloroaniline
• IUPAC Traditional name: 2-bromo-3,5-dichloroaniline
• Synonyms: 2-Bromo-3,5-dichlorobenzenamine

Database IDs

• CAS Number: 1211214-30-0
• MDL Number: MFCD09999825
• PubChem SID: 162034761
• PubChem CID: 45789979

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.1211042
• LogD (pH = 7.4): 3.1211612
• Log P: 3.121162
• Molar Refractivity: 47.9908 cm^3
• Polarizability: 18.253805 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%