3-chloro-5-methylpyridazine

• ChemBase ID: 64346
• Molecular Formular: C5H5ClN2
• Molecular Mass: 128.5596
• Monoisotopic Mass: 128.01412585
• SMILES: c1(cc(nnc1)Cl)C
• Canonical SMILES: Cc1cnnc(c1)Cl
• InChI: InChI=1S/C5H5ClN2/c1-4-2-5(6)8-7-3-4/h2-3H,1H3
• InChIKey: GXBWRBSCBONTKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-5-methylpyridazine
• IUPAC Traditional name: 3-chloro-5-methylpyridazine
• Synonyms: 3-Chloro-5-methylpyridazine; 3-Chloro-5-methylpyridazine 97%

Database IDs

• CAS Number: 89283-31-8
• MDL Number: MFCD09743645
• PubChem SID: 162030085
• PubChem CID: 21766140

CALCULATED PROPERTIES

• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.113433
• LogD (pH = 7.4): 1.1134465
• Log P: 1.1134467
• Molar Refractivity: 34.6717 cm^3
• Polarizability: 12.286025 Å^3

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant/Keep Cold
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%

DETAILS

Apollo Scientific Ltd - OR2988

Temperature sensitive sold in DCM solution