(diphenylarsoroso)benzene

• ChemBase ID: 138781
• Molecular Formular: C18H15AsO
• Molecular Mass: 322.2327
• Monoisotopic Mass: 322.0338861
• SMILES: c1ccc(cc1)[As](=O)(c1ccccc1)c1ccccc1
• Canonical SMILES: O=[As](c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C18H15AsO/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
• InChIKey: CLVJBRYGLQNRDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (diphenylarsoroso)benzene
• IUPAC Traditional name: (diphenylarsoroso)benzene
• Synonyms: Triphenylarsine oxide; 三苯胂氧化物

Database IDs

• CAS Number: 1153-05-5
• EC Number: 214-571-0
• MDL Number: MFCD00019905
• Beilstein Number: 2939833
• PubChem SID: 162233032; 24847249; 24889650
• PubChem CID: 14382

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.2052
• LogD (pH = 7.4): 5.2052
• Log P: 5.2052
• Molar Refractivity: 77.8658 cm^3
• Polarizability: 34.009647 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 191-193 °C(lit.)

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 3465
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• 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
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges; Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 3465 6.1/PG 2

Product Information

• Purity: ≥97.0% (HPLC); 97%
• Grade: purum
• Linear Formula: (C6H5)3AsO

DETAILS

Sigma Aldrich - 115894

Packaging
25 g in glass bottle