4-chloro-2,6-dimethylaniline

• ChemBase ID: 179988
• Molecular Formular: C8H10ClN
• Molecular Mass: 155.6247
• Monoisotopic Mass: 155.05017701
• SMILES: Nc1c(cc(cc1C)Cl)C
• Canonical SMILES: Clc1cc(C)c(c(c1)C)N
• InChI: InChI=1S/C8H10ClN/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,10H2,1-2H3
• InChIKey: JCLZLZKUISPXDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2,6-dimethylaniline
• IUPAC Traditional name: 4-chloro-2,6-dimethylaniline
• Synonyms: 4-Chloro-2,6-dimethylaniline; 4-Chloro-2,6-xylidine; 4-Chloro-2,6-dimethylaniline; 4-氯-2,6-二甲基苯胺

Database IDs

• CAS Number: 24596-18-7
• MDL Number: MFCD01076576
• PubChem SID: 164235898
• PubChem CID: 5073362

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7724557
• LogD (pH = 7.4): 2.7751725
• Log P: 2.7752073
• Molar Refractivity: 45.6456 cm^3
• Polarizability: 16.844906 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; 45-50°C
• Hydrophobicity(logP): 2.806

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 95%; 98%