carbonyl dibromide

• ChemBase ID: 126413
• Molecular Formular: CBr2O
• Molecular Mass: 187.8181
• Monoisotopic Mass: 185.83158862
• SMILES: BrC(=O)Br
• Canonical SMILES: BrC(=O)Br
• InChI: InChI=1S/CBr2O/c2-1(3)4
• InChIKey: MOIPGXQKZSZOQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: carbonyl dibromide
• IUPAC Traditional name: carbonyl bromide
• Synonyms: Bromophosgene; carbonic dibromide; carbonyl dibromide; Carbonyl bromide

Database IDs

• CAS Number: 593-95-3
• PubChem SID: 162220747
• PubChem CID: 79057
• Chemspider ID: 71389
• Wikipedia Title: Carbonyl_bromide

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6168163
• LogD (pH = 7.4): 1.6168163
• Log P: 1.6168163
• Molar Refractivity: 22.413 cm^3
• Polarizability: 9.140726 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: reacts with water
• Apperance: colorless liquid
• Boiling Point: 64.5°C
• Density: 2.52 g/ml at 15°C
• Heat Capacity: 61.8 J·mol^-1·K^-1 (gas)
• Std enthalpy of formation: -127.2 kJ·mol^-1 (liquid) ; -96.2 kJ·mol^-1 (gas)
• Std molar entropy: 309.1 J·mol^-1·K^-1 (gas)

Safety Information

• EU Index: Not Listed
• NFPA704:
  

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