arsoric acid

• ChemBase ID: 125934
• Molecular Formular: AsH3O4
• Molecular Mass: 141.94302
• Monoisotopic Mass: 141.92472958
• SMILES: O=[As](O)(O)O
• Canonical SMILES: O[As](=O)(O)O
• InChI: InChI=1S/AsH3O4/c2-1(3,4)5/h(H3,2,3,4,5)
• InChIKey: DJHGAFSJWGLOIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: arsoric acid
• IUPAC Traditional name: arsenic acid
• Synonyms: Arsenic acid; Orthoarsenic acid; Desiccant L-10; Zotox; Arsenic acid

Database IDs

• CAS Number: 7778-39-4
• PubChem SID: 162220277
• PubChem CID: 234
• CHEBI ID: 18231
• Chemspider ID: 229
• KEGG ID: C01478
• Unique Ingredient Identifier: N7CIZ75ZPN
• Wikipedia Title: Arsenic_acid

CALCULATED PROPERTIES

• Acid pKa: 3.1531765
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.27436
• LogD (pH = 7.4): -4.5524263
• Log P: -1.21
• Molar Refractivity: 9.1367 cm^3
• Polarizability: 7.442074 Å^3
• Polar Surface Area: 77.76 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 16.7 g/100 mL in water; soluble in alcohol
• Apperance: White translucent crystals,; hygroscopic.
• Melting Point: 35.5°C
• Boiling Point: decom ≥ 100 °C
• Flash Point: Non-flammable
• Density: 2.5 g/cm^3
• pKa: 2.19, 6.94, 11.5

Safety Information

• RTECS: CG0700000
• European Hazard Symbols: Dangerous for the environment (N); Toxic (T)
• Risk Statements: R23/25, R45, R50/53
• Safety Statements: S53, S45, S60, S61
• NFPA704:
  

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