2,3-dichloro-N,N-dimethylaniline

• ChemBase ID: 74235
• Molecular Formular: C8H9Cl2N
• Molecular Mass: 190.06976
• Monoisotopic Mass: 189.01120465
• SMILES: Clc1c(cccc1Cl)N(C)C
• Canonical SMILES: CN(c1cccc(c1Cl)Cl)C
• InChI: InChI=1S/C8H9Cl2N/c1-11(2)7-5-3-4-6(9)8(7)10/h3-5H,1-2H3
• InChIKey: DXWYDTKXGNLLLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dichloro-N,N-dimethylaniline
• IUPAC Traditional name: 2,3-dichloro-N,N-dimethylaniline
• Synonyms: 2,3-Dichloro-N,N-dimethylaniline 95+%

Database IDs

• MDL Number: MFCD01313305
• PubChem SID: 162039154
• PubChem CID: 2735981

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2893748
• LogD (pH = 7.4): 3.289379
• Log P: 3.2893791
• Molar Refractivity: 50.0962 cm^3
• Polarizability: 18.932007 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 126-130°C/8mm

Safety Information

• Storage Warning: Irritant