tetraphenylarsanium hydrate chloride hydrochloride

• ChemBase ID: 146812
• Molecular Formular: C24H23AsCl2O
• Molecular Mass: 473.26642
• Monoisotopic Mass: 472.03419172
• SMILES: c1ccc(cc1)[As+](c1ccccc1)(c1ccccc1)c1ccccc1.O.Cl.[Cl-]
• Canonical SMILES: c1ccc(cc1)[As+](c1ccccc1)(c1ccccc1)c1ccccc1.O.Cl.[Cl-]
• InChI: InChI=1S/C24H20As.2ClH.H2O/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;;;/h1-20H;2*1H;1H2/q+1;;;/p-1
• InChIKey: HRCBNZHNCWEFFR-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraphenylarsanium hydrate chloride hydrochloride
• IUPAC Traditional name: tetraphenylarsonium hydrate chloride hydrochloride
• Synonyms: Tetraphenylarsonium(V) chloride hydrochloride hydrate; 四苯基氯化砷(V) 盐酸盐 水合物

Database IDs

• CAS Number: 123334-18-9
• EC Number: 208-070-6
• MDL Number: MFCD00150049
• PubChem SID: 24848554; 162241004
• PubChem CID: 16211271

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.1588
• LogD (pH = 7.4): 7.1588
• Log P: 7.1588
• Molar Refractivity: 101.8972 cm^3
• Polarizability: 43.18009 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 211-213 °C(lit.)

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 23/25-50/53
• Safety Statements: 20/21-28-45-60-61
• GHS Pictograms: GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H331-H410
• GHS Precautionary statements: P261-P273-P301 + P310-P311-P501
• RID/ADR: UN 3077 9/PG 3

Product Information

• Linear Formula: (C6H5)4AsCl·HCl·xH2O

DETAILS

Sigma Aldrich - 147451

Packaging
10, 25 g in glass bottle