tetrachloro-1,3-dioxolan-2-one

• ChemBase ID: 71743
• Molecular Formular: C3Cl4O3
• Molecular Mass: 225.8423
• Monoisotopic Mass: 223.86015458
• SMILES: C1(OC(=O)OC1(Cl)Cl)(Cl)Cl
• Canonical SMILES: O=C1OC(C(O1)(Cl)Cl)(Cl)Cl
• InChI: InChI=1S/C3Cl4O3/c4-2(5)3(6,7)10-1(8)9-2
• InChIKey: TXQPIYKVIOKFAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrachloro-1,3-dioxolan-2-one
• IUPAC Traditional name: tetrachloro-1,3-dioxolan-2-one
• Synonyms: 4,4,5,5-Tetrachloro-1,3-dioxolan-2-one

Database IDs

• CAS Number: 22432-68-4
• MDL Number: MFCD00030631
• PubChem SID: 162037151
• PubChem CID: 2724978

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8933382
• LogD (pH = 7.4): 2.8933382
• Log P: 2.8933382
• Molar Refractivity: 37.5368 cm^3
• Polarizability: 15.093776 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT