methyl hypochlorite

• ChemBase ID: 128337
• Molecular Formular: CH3ClO
• Molecular Mass: 66.48692
• Monoisotopic Mass: 65.9872424
• SMILES: COCl
• Canonical SMILES: COCl
• InChI: InChI=1S/CH3ClO/c1-3-2/h1H3
• InChIKey: UCFFGYASXIPWPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl hypochlorite
• IUPAC Systematic name: Methyl hypochlorite
• IUPAC Traditional name: methyl hypochlorite
• Synonyms: Hypochlorous acid methyl ester; Methoxy chloride; Methyl hypochlorite

Database IDs

• CAS Number: 593-78-2
• PubChem SID: 162222645
• PubChem CID: 79056
• Chemspider ID: 71388
• Wikipedia Title: Methyl_hypochlorite

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.6961546
• LogD (pH = 7.4): 0.6961546
• Log P: 0.6961546
• Molar Refractivity: 13.1832 cm^3
• Polarizability: 5.2405744 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Decomposes in water
• Apperance: Gas
• Melting Point: -120.4°C
• Boiling Point: 9.18°C
• Density: 1.058 g/cm^3
• Refractive Index: 1.343
• Odor: Pungent

Safety Information

• Risk Statements: R3 R8 R23/24/25 R35
• EU Index: Not listed
• NFPA704:
  

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