4-chloro-2,6-dimethylaniline hydrochloride

• ChemBase ID: 293935
• Molecular Formular: C8H11Cl2N
• Molecular Mass: 192.08564
• Monoisotopic Mass: 191.02685472
• SMILES: Cl.Cc1cc(Cl)cc(C)c1N
• Canonical SMILES: Clc1cc(C)c(c(c1)C)N.Cl
• InChI: InChI=1S/C8H10ClN.ClH/c1-5-3-7(9)4-6(2)8(5)10;/h3-4H,10H2,1-2H3;1H
• InChIKey: MHTIYKGRFKCWAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 5769-32-4
• MDL Number: MFCD00671703
• PubChem SID: 180679466
• PubChem CID: 18406981

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

Safety Information

• Storage Warning: Hygroscopic
• 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: 97%; 98%