chloro hypochlorite

• ChemBase ID: 126979
• Molecular Formular: Cl2O
• Molecular Mass: 86.9054
• Monoisotopic Mass: 85.93261998
• SMILES: ClOCl
• Canonical SMILES: ClOCl
• InChI: InChI=1S/Cl2O/c1-3-2
• InChIKey: RCJVRSBWZCNNQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro hypochlorite
• IUPAC Traditional name: ClOCl
• Synonyms: Oxygen dichloride; Dichlorine oxide; Chlorine(I) oxide; Hypochlorous oxide; Hypochlorous anhydride; Dichlorine monoxide

Database IDs

• CAS Number: 7791-21-1
• PubChem SID: 162221302
• PubChem CID: 24646
• CHEBI ID: 30198
• Chemspider ID: 23048
• Wikipedia Title: Dichlorine_monoxide

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2346932
• LogD (pH = 7.4): 1.2346932
• Log P: 1.2346932
• Molar Refractivity: 13.6228 cm^3
• Polarizability: 5.5081835 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: soluble in CCl₄; very soluble, hydrolyses 143 g Cl₂O per 100 g water
• Melting Point: -120.6°C
• Boiling Point: 2.2°C
• Std enthalpy of formation: +80.3 kJ mol^-1
• Std molar entropy: 265.9 J K^-1 mol^-1

Safety Information

• NFPA704:
  

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