3-chloro-2,6-dimethylaniline

• ChemBase ID: 180092
• Molecular Formular: C8H10ClN
• Molecular Mass: 155.6247
• Monoisotopic Mass: 155.05017701
• SMILES: Nc1c(c(ccc1C)Cl)C
• Canonical SMILES: Clc1ccc(c(c1C)N)C
• InChI: InChI=1S/C8H10ClN/c1-5-3-4-7(9)6(2)8(5)10/h3-4H,10H2,1-2H3
• InChIKey: FGMXFOTYCHZCLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-2,6-dimethylaniline
• IUPAC Traditional name: 3-chloro-2,6-dimethylaniline
• Synonyms: 3-Chloro-2,6-dimethylaniline; 3-Chloro-2,6-xylidine; 3-Chloro-2,6-dimethylaniline; 3-氯-2,6-二甲基苯胺

Database IDs

• CAS Number: 26829-77-6
• MDL Number: MFCD02683086
• PubChem SID: 164236002
• PubChem CID: 7023016

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7722592
• LogD (pH = 7.4): 2.77517
• Log P: 2.7752073
• Molar Refractivity: 45.6456 cm^3
• Polarizability: 16.853458 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 30-32°C
• Boiling Point: 136-138°C/17mm

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: 99%