methyltriphenylarsanium iodide

• ChemBase编号: 108203
• 分子式: C19H18AsI
• 平均质量: 448.17229
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: methyltriphenylarsanium iodide
• IUPAC传统名: methyltriphenylarsanium iodide
• 别名: 甲基三苯基碘化砷; Methyltriphenylarsonium iodide; TRIPHENYLMETHYLARSONIUM IODIDE

登记号

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

理论计算性质

• Acid pKa: 15.123199
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.7996
• LogD (pH = 7.4): 5.7996
• Log P: 5.7996
• 摩尔折射率: 81.972 cm^3
• 极化性: 35.432827 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 173-177°C

安全信息

• 保存注意事项: Light Sensitive
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 有毒(Toxic) (T)
• 联合国危险货物编号: UN3465
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): III
• 危险公开号: 23/25-50/53; R:23/25-58
• 安全公开号: 20/21-28-45-60-61; S:28-45-20/21-61
• TSCA收录: 是
• GHS危险品标识: GHS06; GHS09
• GHS危险声明: H301-H331-H400-H410
• GHS警示性声明: P261-P301+P310-P321-P304+P340-P405-P501A

产品相关信息

• 纯度: 98%

详细说明

MP Biomedicals - 05206459

MP Biomedicals Rare Chemical collection

参考文献

• 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):