4-(2,3-dichlorophenyl)piperazin-1-ium chloride

• ChemBase ID: 302551
• Molecular Formular: C10H13Cl3N2
• Molecular Mass: 267.58262
• Monoisotopic Mass: 266.01443147
• SMILES: c1cc(c(c(c1)Cl)Cl)N1CC[NH2+]CC1.[Cl-]
• Canonical SMILES: Clc1c(Cl)cccc1N1CC[NH2+]CC1.[Cl-]
• InChI: InChI=1S/C10H12Cl2N2.ClH/c11-8-2-1-3-9(10(8)12)14-6-4-13-5-7-14;/h1-3,13H,4-7H2;1H
• InChIKey: CYQFNNSFAGXCEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,3-dichlorophenyl)piperazin-1-ium chloride
• IUPAC Traditional name: 2,3-dichlorophenylpiperazine chloride
• Synonyms: 1-(2,3-Dichlorophenyl)piperazine monohydrochloride; 1-(2

Database IDs

• CAS Number: 119532-26-2
• EC Number: 000-000-0
• MDL Number: MFCD00190238

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.22615209
• LogD (pH = 7.4): 1.3213116
• Log P: 2.7534506
• Molar Refractivity: 72.2665 cm^3
• Polarizability: 23.356428 Å^3
• Polar Surface Area: 19.85 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 248-250°C

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98+%