4,6-dichloro-3-methylpyridazine

• ChemBase ID: 71367
• Molecular Formular: C5H4Cl2N2
• Molecular Mass: 163.00466
• Monoisotopic Mass: 161.9751535
• SMILES: c1(c(cc(nn1)Cl)Cl)C
• Canonical SMILES: Clc1nnc(c(c1)Cl)C
• InChI: InChI=1S/C5H4Cl2N2/c1-3-4(6)2-5(7)9-8-3/h2H,1H3
• InChIKey: SWLRTVHQASOVRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 68240-43-7
• MDL Number: MFCD21604745
• PubChem SID: 162036957
• PubChem CID: 58717049

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3354334
• LogD (pH = 7.4): 1.33544
• Log P: 1.3354402
• Molar Refractivity: 39.0268 cm^3
• Polarizability: 14.253419 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 35-37°C

Safety Information

• Storage Warning: IRRITANT

Product Information

• Purity: 95%