2,6-dichloro-4-methoxyaniline

• ChemBase ID: 167079
• Molecular Formular: C7H7Cl2NO
• Molecular Mass: 192.04258
• Monoisotopic Mass: 190.99046921
• SMILES: c1(cc(c(c(c1)Cl)N)Cl)OC
• Canonical SMILES: COc1cc(Cl)c(c(c1)Cl)N
• InChI: InChI=1S/C7H7Cl2NO/c1-11-4-2-5(8)7(10)6(9)3-4/h2-3H,10H2,1H3
• InChIKey: YWADYUWJRWZMSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-4-methoxyaniline
• IUPAC Traditional name: 2,6-dichloro-4-methoxyaniline
• Synonyms: 2,6-Dichloro-4-methoxy-benzenamine; 2,6-Dichloro-4-methoxybenzenamine; 2,6-Dichloro-p-anisidine; 2,6-Dichloro-4-methoxyaniline

Database IDs

• CAS Number: 6480-66-6
• PubChem SID: 162261212
• PubChem CID: 12406845

CALCULATED PROPERTIES

• Acid pKa: 19.443846
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1945374
• LogD (pH = 7.4): 2.1947355
• Log P: 2.194738
• Molar Refractivity: 46.8312 cm^3
• Polarizability: 17.805872 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: Pale Yellow Solid
• Melting Point: 66-68°C

Safety Information

• Storage Condition: -20°C Freezer