6-chloro-3,4-dimethylpyridazine

• ChemBase ID: 78529
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: n1nc(c(cc1Cl)C)C
• Canonical SMILES: Clc1nnc(c(c1)C)C
• InChI: InChI=1S/C6H7ClN2/c1-4-3-6(7)9-8-5(4)2/h3H,1-2H3
• InChIKey: MFZWCOUQCKMXEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-3,4-dimethylpyridazine
• IUPAC Traditional name: 6-chloro-3,4-dimethylpyridazine
• Synonyms: 6-Chloro-3,4-dimethylpyridazine

Database IDs

• CAS Number: 873397-60-5
• MDL Number: MFCD11044785
• PubChem SID: 162043294
• PubChem CID: 51341969

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2447263
• LogD (pH = 7.4): 1.2448157
• Log P: 1.2448169
• Molar Refractivity: 39.2632 cm^3
• Polarizability: 14.038323 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 45 - 47°C
• Hydrophobicity(logP): 1.228

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%