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

• ChemBase ID: 77530
• Molecular Formular: C10H6Cl2N2
• Molecular Mass: 225.07404
• Monoisotopic Mass: 223.99080356
• SMILES: n1nc(ccc1c1cc(ccc1)Cl)Cl
• Canonical SMILES: Clc1ccc(nn1)c1cccc(c1)Cl
• InChI: InChI=1S/C10H6Cl2N2/c11-8-3-1-2-7(6-8)9-4-5-10(12)14-13-9/h1-6H
• InChIKey: QRFJVCQGPISREA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 66548-94-5
• MDL Number: MFCD06801339
• PubChem SID: 162042402
• PubChem CID: 12726811

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2371435
• LogD (pH = 7.4): 3.2371457
• Log P: 3.2371457
• Molar Refractivity: 59.1995 cm^3
• Polarizability: 23.299978 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 157-158°C
• Partition Coefficient: 4.459

Safety Information

• Storage Warning: Harmful/Irritant

Product Information

• Purity: 95+%