3,4-dichloro-6-phenylpyridazine

• ChemBase ID: 45124
• Molecular Formular: C10H6Cl2N2
• Molecular Mass: 225.07404
• Monoisotopic Mass: 223.99080356
• SMILES: n1nc(cc(c1Cl)Cl)c1ccccc1
• Canonical SMILES: Clc1cc(nnc1Cl)c1ccccc1
• InChI: InChI=1S/C10H6Cl2N2/c11-8-6-9(13-14-10(8)12)7-4-2-1-3-5-7/h1-6H
• InChIKey: DGKIYVQEFBTNMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dichloro-6-phenylpyridazine
• IUPAC Traditional name: 3,4-dichloro-6-phenylpyridazine
• Synonyms: 3,4-Dichloro-6-phenylpyridazine

Database IDs

• CAS Number: 64942-62-7
• MDL Number: MFCD12828180
• PubChem SID: 162049887
• PubChem CID: 13163231

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2371426
• LogD (pH = 7.4): 3.2371457
• Log P: 3.2371457
• Molar Refractivity: 59.1995 cm^3
• Polarizability: 23.353071 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 164 - 165 °C; 164-165°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%