4,5-dichloro-2-(3,5-dichlorophenyl)-2,3-dihydropyridazin-3-one

• ChemBase ID: 79154
• Molecular Formular: C10H4Cl4N2O
• Molecular Mass: 309.96356
• Monoisotopic Mass: 307.90777348
• SMILES: n1(c2cc(cc(c2)Cl)Cl)c(=O)c(c(cn1)Cl)Cl
• Canonical SMILES: Clc1cc(Cl)cc(c1)n1ncc(c(c1=O)Cl)Cl
• InChI: InChI=1S/C10H4Cl4N2O/c11-5-1-6(12)3-7(2-5)16-10(17)9(14)8(13)4-15-16/h1-4H
• InChIKey: UBKUOBNFCOTJAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-dichloro-2-(3,5-dichlorophenyl)-2,3-dihydropyridazin-3-one
• IUPAC Traditional name: 4,5-dichloro-2-(3,5-dichlorophenyl)pyridazin-3-one
• Synonyms: 4,5-dichloro-2-(3,5-dichlorophenyl)-2,3-dihydropyridazin-3-one; 4,5-Dichloro-2-(3,5-dichlorophenyl)-3(2H)-pyridazinone; 4,5-二氯-2-(3,5-二氯苯基)-3(2H)-哒嗪酮

Database IDs

• CAS Number: 86483-43-4
• MDL Number: MFCD00067796
• PubChem SID: 162043917
• PubChem CID: 2774756

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.8583224
• LogD (pH = 7.4): 3.8583224
• Log P: 3.8583224
• Molar Refractivity: 69.8274 cm^3
• Polarizability: 26.307873 Å^3
• Polar Surface Area: 32.67 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%