4-bromo-6-chloro-3-phenylpyridazine

• ChemBase ID: 45179
• Molecular Formular: C10H6BrClN2
• Molecular Mass: 269.52504
• Monoisotopic Mass: 267.94028788
• SMILES: n1c(c(cc(n1)Cl)Br)c1ccccc1
• Canonical SMILES: Clc1nnc(c(c1)Br)c1ccccc1
• InChI: InChI=1S/C10H6BrClN2/c11-8-6-9(12)13-14-10(8)7-4-2-1-3-5-7/h1-6H
• InChIKey: UCPHOSBKNXETOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-6-chloro-3-phenylpyridazine
• IUPAC Traditional name: 4-bromo-6-chloro-3-phenylpyridazine
• Synonyms: 4-Bromo-6-chloro-3-phenylpyridazine

Database IDs

• CAS Number: 433935-99-0
• MDL Number: MFCD13193081
• PubChem SID: 162049942
• PubChem CID: 11346243

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.401853
• LogD (pH = 7.4): 3.4018536
• Log P: 3.4018536
• Molar Refractivity: 62.0175 cm^3
• Polarizability: 24.185837 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 84 - 86 °C; 84-86°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%