chloryl

• ChemBase ID: 126510
• Molecular Formular: ClO2
• Molecular Mass: 67.4518
• Monoisotopic Mass: 66.95868192
• SMILES: O=[Cl]=O
• Canonical SMILES: O=[Cl]=O
• InChI: InChI=1S/ClO2/c2-1-3
• InChIKey: OSVXSBDYLRYLIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chloryl
• IUPAC Traditional name: chloryl
• Synonyms: Chlorine(IV) oxide; Chloryl; Chlorine dioxide

Database IDs

• CAS Number: 10049-04-4
• EC Number: 233-162-8
• PubChem SID: 162220843
• PubChem CID: 24870
• CHEBI ID: 29415
• Chemspider ID: 23251
• Gmelin ID: 1265
• MeSH Name: Chlorine+dioxide
• Unique Ingredient Identifier: 8061YMS4RM
• Wikipedia Title: Chlorine_dioxide

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• Molar Refractivity: 9.0221 cm^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: 8 g dm^-3 (at 20 °C) in water; soluble in alkaline and sulfuric acid solutions
• Apperance: Yellow to reddish gas
• Melting Point: -59°C
• Boiling Point: 11°C
• Density: 2.757 g dm^-3
• pKa: 3.0(5)
• Odor: Acrid
• Std enthalpy of formation: 104.60 kJ/mol
• Std molar entropy: 257.22 J K^-1 mol^-1

Safety Information

• RTECS: FO3000000
• European Hazard Symbols: Corrosive (C); Nature polluting (N); Oxidising (O); Highly toxic (T+)
• Risk Statements: R6, R8, R26, R34, R50
• Safety Statements: S1/2, S23, S26, S28, S36/37/39, S38, S45, S61
• EU Index: 017-026-00-3
• NFPA704:
  

  0

  3

  4

  OX
• LD50: 292 mg/kg (oral, rat)