3,5-dichloropyridazine

• ChemBase ID: 68630
• Molecular Formular: C4H2Cl2N2
• Molecular Mass: 148.97808
• Monoisotopic Mass: 147.95950343
• SMILES: c1(cc(cnn1)Cl)Cl
• Canonical SMILES: Clc1cnnc(c1)Cl
• InChI: InChI=1S/C4H2Cl2N2/c5-3-1-4(6)8-7-2-3/h1-2H
• InChIKey: JZSAUQMXKHBZEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichloropyridazine
• IUPAC Traditional name: 3,5-dichloropyridazine
• Synonyms: 3,5-Dichloropyridazine

Database IDs

• CAS Number: 1837-55-4
• MDL Number: MFCD10698048
• PubChem SID: 162034360
• PubChem CID: 19959687

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2040693
• LogD (pH = 7.4): 1.20407
• Log P: 1.20407
• Molar Refractivity: 34.4353 cm^3
• Polarizability: 12.51646 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%; 98%