methyltriphenylarsanium iodide

• ChemBase ID: 108203
• Molecular Formular: C19H18AsI
• Molecular Mass: 448.17229
• Monoisotopic Mass: 447.96691958
• SMILES: [I-].C[As+](c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: C[As+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
• InChI: InChI=1S/C19H18As.HI/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;/h2-16H,1H3;1H/q+1;/p-1
• InChIKey: GHLKOMSNOFJXDT-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: methyltriphenylarsanium iodide
• IUPAC Traditional name: methyltriphenylarsanium iodide
• Synonyms: Methyltriphenylarsonium iodide; TRIPHENYLMETHYLARSONIUM IODIDE; 甲基三苯基碘化砷

Database IDs

• CAS Number: 1499-33-8
• EC Number: 216-108-8
• MDL Number: MFCD00031543
• Beilstein Number: 3639838
• PubChem SID: 162094061
• PubChem CID: 73911

CALCULATED PROPERTIES

• Acid pKa: 15.123199
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.7996
• LogD (pH = 7.4): 5.7996
• Log P: 5.7996
• Molar Refractivity: 81.972 cm^3
• Polarizability: 35.432827 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 173-177°C

Safety Information

• Storage Warning: Light Sensitive
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: UN3465
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 23/25-50/53; R:23/25-58
• Safety Statements: 20/21-28-45-60-61; S:28-45-20/21-61
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS09
• GHS Hazard statements: H301-H331-H400-H410
• GHS Precautionary statements: P261-P301+P310-P321-P304+P340-P405-P501A

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 05206459

MP Biomedicals Rare Chemical collection

REFERENCES

• Arsenic analogue of Wittig salt; see Appendix 1. Review: Adv. Organomet. Chem., 20, 115 (1982). Arsonium ylides with electron-withdrawing groups in the alkylidene group are more reactive than their phosphonium counterparts. For an application in the synthesis of pentafluorophenylalkenes, by in situ generation of the pentafluorophenyl methylide, see: Synthesis, 65 (1987):