(2H3)methyltriphenylphosphanium iodide

• ChemBase编号: 138041
• 分子式: C19H18IP
• 平均质量: 404.224451
• 单一同位素质量: 404.01908521
• SMILES: C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
• Canonical SMILES: C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
• InChI: InChI=1S/C19H18P.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: JNMIXMFEVJHFNY-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: (^2H₃)methyltriphenylphosphanium iodide
• IUPAC传统名: (^2H₃)methyltriphenylphosphanium iodide
• 别名: 甲基-d3-三苯基碘化膦; Methyl-d3-triphenylphosphonium iodide; (Methyl)-triphenyl-phosphonium Iodide-d3; Triphenyl(trideuteriomethyl)phosphonium Iodide; (Methyl)triphenylphosphonium Iodide-d3

登记号

• CAS号: 1560-56-1
• MDL号: MFCD00064525
• PubChem SID: 162232300; 24874305
• PubChem CID: 16213807

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 4.731569
• LogD (pH = 7.4): 4.731569
• Log P: 4.731569
• 摩尔折射率: 87.172 cm^3
• 极化性: 34.437588 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: true

分子性质

理化性质

• 溶解度: Ether
• 外观: White Powder
• 熔点: 186-188 °C(lit.)
• 质量偏移: M+3

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338

产品相关信息

• 同位素纯度: 95 atom % D; 99 atom % D
• Mol. Weight: mol wt 407.11 by atom % calculation
• 线性分子式: CD3P(C6H5)3I

详细说明

Sigma Aldrich - 329355

Application
氘代 Wittig 试剂。1,2
包装
螺纹盖瓶包装

Sigma Aldrich - 523208

包装
5 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Toronto Research Chemicals - M330997

Wittig Reagent