2,3-dichloro-4-methylaniline

• ChemBase ID: 244337
• Molecular Formular: C7H7Cl2N
• Molecular Mass: 176.04318
• Monoisotopic Mass: 174.99555459
• SMILES: c1(c(c(ccc1N)C)Cl)Cl
• Canonical SMILES: Cc1ccc(c(c1Cl)Cl)N
• InChI: InChI=1S/C7H7Cl2N/c1-4-2-3-5(10)7(9)6(4)8/h2-3H,10H2,1H3
• InChIKey: YAPLMJQCTRFXQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dichloro-4-methylaniline
• IUPAC Traditional name: 2,3-dichloro-4-methylaniline
• Synonyms: 2,3-dichloro-4-methylaniline

Database IDs

• MDL Number: MFCD20690792
• PubChem SID: 164300247
• PubChem CID: 13408604

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.865267
• LogD (pH = 7.4): 2.8658235
• Log P: 2.8658307
• Molar Refractivity: 45.4092 cm^3
• Polarizability: 17.025188 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 45 - 47°C
• Hydrophobicity(logP): 3.098

Product Information

• Purity: 95%