dichloro[(E)-2-chloroethenyl]arsane

• ChemBase ID: 128061
• Molecular Formular: C2H2AsCl3
• Molecular Mass: 207.31788
• Monoisotopic Mass: 205.8438041
• SMILES: Cl[As](Cl)/C=C/Cl
• Canonical SMILES: Cl/C=C/[As](Cl)Cl
• InChI: InChI=1S/C2H2AsCl3/c4-2-1-3(5)6/h1-2H/b2-1+
• InChIKey: GIKLTQKNOXNBNY-OWOJBTEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloro[(E)-2-chloroethenyl]arsane
• IUPAC Traditional name: lewisite
• Synonyms: 2-chloroethenyldichloroarsine; 2-chlorovinyldichloroarsine; Lewisite

Database IDs

• CAS Number: 541-25-3
• PubChem SID: 162222377
• PubChem CID: 5372798
• Chemspider ID: 4522971
• MeSH Name: lewisite
• Wikipedia Title: Lewisite

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.4988
• LogD (pH = 7.4): 2.4988
• Log P: 2.4988
• Molar Refractivity: 26.5565 cm^3
• Polarizability: 14.019448 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: –18 °C
• Boiling Point: 190 °C
• Density: 1.89 g/cm^3

Safety Information

• NFPA704:
  

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