dichloro(phenyl)arsane

• ChemBase ID: 128925
• Molecular Formular: C6H5AsCl2
• Molecular Mass: 222.9315
• Monoisotopic Mass: 221.89842652
• SMILES: Cl[As](Cl)c1ccccc1
• Canonical SMILES: Cl[As](c1ccccc1)Cl
• InChI: InChI=1S/C6H5AsCl2/c8-7(9)6-4-2-1-3-5-6/h1-5H
• InChIKey: UDHDFEGCOJAVRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloro(phenyl)arsane
• IUPAC Traditional name: phenyldichloroarsine
• Synonyms: Dichlorophenylarsane; Dichloro(phenyl)arsine; Phenyldichloroarsine

Database IDs

• CAS Number: 696-28-6
• EC Number: 211-791-9
• PubChem SID: 162223227
• PubChem CID: 12762
• Chemspider ID: 12238
• Wikipedia Title: Phenyldichloroarsine

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.2212
• LogD (pH = 7.4): 3.2212
• Log P: 3.2212
• Molar Refractivity: 37.7469 cm^3
• Polarizability: 17.999336 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: acetone, ether, benzene; Reacts in water
• Apperance: Colorless gas or liquid
• Melting Point: -20 °C
• Boiling Point: 252-255 °C
• Flash Point: 16 °C
• Density: 1.65 g/cc (at 20 °C)
• Vapor Pressure: .033
• Partition Coefficient: 3.060
• Henry Constant: 3.00E-05 atm-m3/mole
• Atmospheric OH Rate Constant: 1.95E-12 cm3/molecule-sec

Safety Information

• RTECS: CH5425000
• Safety Statements: R
• Main Hazard: Flammability, incapacitation, blistering
• NFPA704:
  

  1

  4

  0
• LD50: 2,500 mg - min/m^3
• Permissible exposure limit: 0.5 mg/m^2