3-chloro-6-(4-chlorophenyl)pyridazine

• ChemBase ID: 62554
• Molecular Formular: C10H6Cl2N2
• Molecular Mass: 225.07404
• Monoisotopic Mass: 223.99080356
• SMILES: n1nc(ccc1c1ccc(cc1)Cl)Cl
• Canonical SMILES: Clc1ccc(cc1)c1ccc(nn1)Cl
• InChI: InChI=1S/C10H6Cl2N2/c11-8-3-1-7(2-4-8)9-5-6-10(12)14-13-9/h1-6H
• InChIKey: ARQKIDKGCMDXKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-6-(4-chlorophenyl)pyridazine
• IUPAC Traditional name: 3-chloro-6-(4-chlorophenyl)pyridazine
• Synonyms: 3-Chloro-6-(4-chloro-phenyl)-pyridazine; 3-Chloro-6-(4-chlorophenyl)pyridazine

Database IDs

• CAS Number: 58059-29-3
• MDL Number: MFCD06801340
• PubChem SID: 162028293
• PubChem CID: 12257502

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.237143
• LogD (pH = 7.4): 3.2371457
• Log P: 3.2371457
• Molar Refractivity: 59.1995 cm^3
• Polarizability: 23.300116 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 194-204°C
• Partition Coefficient: 4.422

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%