2,4-dichlorobenzoyl 2,4-dichlorobenzene-1-carboperoxoate

• ChemBase ID: 108849
• Molecular Formular: C14H6Cl4O4
• Molecular Mass: 380.00704
• Monoisotopic Mass: 377.90201939
• SMILES: Clc1ccc(C(=O)OOC(=O)c2ccc(Cl)cc2Cl)c(Cl)c1
• Canonical SMILES: Clc1ccc(c(c1)Cl)C(=O)OOC(=O)c1ccc(cc1Cl)Cl
• InChI: InChI=1S/C14H6Cl4O4/c15-7-1-3-9(11(17)5-7)13(19)21-22-14(20)10-4-2-8(16)6-12(10)18/h1-6H
• InChIKey: WRXCBRHBHGNNQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichlorobenzoyl 2,4-dichlorobenzene-1-carboperoxoate
• IUPAC Traditional name: 2,4-dichlorobenzoyl 2,4-dichlorobenzenecarboperoxoate
• Synonyms: 2,4-DICHLOROBENZOYL PEROXIDE 50% SOLUTION IN DBP

Database IDs

• CAS Number: 133-14-2
• PubChem SID: 162094353
• PubChem CID: 61078

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.363111
• LogD (pH = 7.4): 6.363111
• Log P: 6.363111
• Molar Refractivity: 83.9924 cm^3
• Polarizability: 32.874012 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Flammable (F)
• Risk Statements: R:2-7
• Safety Statements: S:3/7-14-36/37/39