(chloromethyl)triphenylphosphanium chloride

• ChemBase编号: 112446
• 分子式: C19H17Cl2P
• 平均质量: 347.218041
• 单一同位素质量: 346.04449253
• SMILES: [Cl-].ClC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: ClC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
• InChI: InChI=1S/C19H17ClP.ClH/c20-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15H,16H2;1H/q+1;/p-1
• InChIKey: SXYFAZGVNNYGJQ-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: (chloromethyl)triphenylphosphanium chloride
• IUPAC传统名: (chloromethyl)triphenylphosphanium chloride
• 别名: (氯甲基)三苯基氯化磷; NSC 93980; (Chloromethyl)triphenylphosphonium chloride; TRIPHENYL(CHLOROMETHYL) PHOSPHONIUM CHLORIDE; (Chloromethyl)triphenylphosphonium chloride

登记号

• CAS号: 5293-84-5
• EC号: 226-139-9
• MDL号: MFCD00011867
• Beilstein号: 3599784
• PubChem SID: 24863486; 24855258; 162097413
• PubChem CID: 197823

理论计算性质

• Acid pKa: 19.861822
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.0414157
• LogD (pH = 7.4): 5.0414157
• Log P: 5.0414157
• 摩尔折射率: 91.6592 cm^3
• 极化性: 36.174877 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 262-264 °C(lit.)

安全信息

• RTECS编号: TA1882000
• 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: 26-37/39
• 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
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥97.0% (AT); 97%
• 级别: purum
• 线性分子式: ClCH2P(Cl)(C6H5)3

详细说明

MP Biomedicals - 05223999

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 377015

包装
25 g in glass bottle
Application
Used for corrosion inhibition of iron1Reactant involved in:
• Acting as a potential electrophile2
• Elimination reactions for the synthesis of linear alkynes3
• Intramolecular nucleophilic vinylic substitution4
• Homologation of aldehydes5
• Endo-selective alkynol cycloisomerization6

Sigma Aldrich - 25305

Other Notes
Wittig 试剂；通过 Wittig 反应和脱氢卤化作用由醛类合成末端炔烃7,8,9
Application
Used for corrosion inhibition of iron1Reactant involved in:
• Acting as a potential electrophile2
• Elimination reactions for the synthesis of linear alkynes3
• Intramolecular nucleophilic vinylic substitution4
• Homologation of aldehydes5
• Endo-selective alkynol cycloisomerization6