10-chloro-5,10-dihydrophenarsazinine

• ChemBase ID: 108909
• Molecular Formular: C12H9AsClN
• Molecular Mass: 277.58116
• Monoisotopic Mass: 276.96394797
• SMILES: Cl[As]1c2ccccc2Nc2ccccc12
• Canonical SMILES: Cl[As]1c2ccccc2Nc2c1cccc2
• InChI: InChI=1S/C12H9AsClN/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8,15H
• InChIKey: PBNSPNYJYOYWTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-chloro-5,10-dihydrophenarsazinine
• IUPAC Systematic name: 10-Chloro-5,10-dihydrophenarsazinine
• IUPAC Traditional name: adamsite
• Synonyms: CHLOROPHENARSAZENE; 10-Chloro-5H-phenarsazinine; Diphenylaminechlorarsine; Adamsite

Database IDs

• CAS Number: 578-94-9
• EC Number: 209-433-1
• PubChem SID: 162095666
• PubChem CID: 11362
• Chemspider ID: 10884
• MeSH Name: Phenarsazine+chloride
• Wikipedia Title: Adamsite

CALCULATED PROPERTIES

• Acid pKa: 18.831287
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.5438974
• LogD (pH = 7.4): 3.5439
• Log P: 3.5439
• Molar Refractivity: 59.5131 cm^3
• Polarizability: 25.991556 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 0.064 g dm^-3 in water
• Apperance: Yellow-green crystals
• Melting Point: 195°C
• Boiling Point: 410°C

DETAILS

MP Biomedicals - 05209195

MP Biomedicals Rare Chemical collection