4,6-dichloro-3-phenylpyridazine

• ChemBase ID: 73997
• Molecular Formular: C10H6Cl2N2
• Molecular Mass: 225.07404
• Monoisotopic Mass: 223.99080356
• SMILES: n1c(c(cc(n1)Cl)Cl)c1ccccc1
• Canonical SMILES: Clc1nnc(c(c1)Cl)c1ccccc1
• InChI: InChI=1S/C10H6Cl2N2/c11-8-6-9(12)13-14-10(8)7-4-2-1-3-5-7/h1-6H
• InChIKey: PPYSGGOWIZSMJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dichloro-3-phenylpyridazine
• IUPAC Traditional name: 4,6-dichloro-3-phenylpyridazine
• Synonyms: (4,6-Dichloropyridazin-3-yl)benzene; 4,6-Dichloro-3-phenylpyridazine

Database IDs

• CAS Number: 40020-05-1
• MDL Number: MFCD00101159
• PubChem SID: 162038916
• PubChem CID: 2736076

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2371452
• LogD (pH = 7.4): 3.2371457
• Log P: 3.2371457
• Molar Refractivity: 59.1995 cm^3
• Polarizability: 23.333036 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 83-84°C

Safety Information

• Storage Warning: Irritant