benzyltriphenylphosphanium chloride

• ChemBase编号: 80774
• 分子式: C25H22ClP
• 平均质量: 388.868941
• 单一同位素质量: 388.11476501
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)Cc1ccccc1.[Cl-]
• Canonical SMILES: c1ccc(cc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
• InChI: InChI=1S/C25H22P.ClH/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;/h1-20H,21H2;1H/q+1;/p-1
• InChIKey: USFRYJRPHFMVBZ-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: benzyltriphenylphosphanium chloride
• IUPAC传统名: benzyltriphenylphosphanium chloride
• 别名: 苄基三苯基氯化膦; 苄基三苯基氯化鏻; BTPPC; NSC 116712; Triphenyl(phenylmethyl)phosphonium chloride; Benzyltriphenylphosphonium chloride; benzyl(triphenyl)phosphonium chloride; BENZYLTRIPHENYLPHOSPHONIUM CHLORIDE

登记号

• CAS号: 1100-88-5
• EC号: 214-154-3
• MDL号: MFCD00011913
• Beilstein号: 3599868
• PubChem SID: 24891707; 162067894
• PubChem CID: 70671

理论计算性质

• Acid pKa: 17.877207
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.352264
• LogD (pH = 7.4): 6.352264
• Log P: 6.352264
• 摩尔折射率: 111.8338 cm^3
• 极化性: 44.074738 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: ≥300 °C(lit.); ca 330°C dec.
• 闪点: >300°C(572°F); 300 °C; 572 °F

安全信息

• 保存注意事项: Hygroscopic
• RTECS编号: TA2416500
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 联合国危险货物编号: 2811; UN3464
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 25; 25-36/37/38
• 安全公开号: 26-36/37/39-45; 26-36/37-45
• TSCA收录: 是
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H300; H300-H315-H319-H335
• GHS警示性声明: P264-P301 + P310; P280H-P305+P351+P338-P309-P310
• 个人保护装置: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 2

产品相关信息

• 纯度: ≥99.0% (AT); 99%
• 级别: purum
• 线性分子式: C6H5CH2P(Cl)(C6H5)3

详细说明

MP Biomedicals - 05206657

MP Biomedicals Rare Chemical collection

Sigma Aldrich - B32807

包装
25, 100 g in poly bottle
Application
Crosslinking agent for tube-like natural halloysite / fluorelastomer nanocomposites1Reactant for synthesis of:
• Platinum chloro tetrazole complexes via azidation2
• Trans-stilbenes and cinnamates via Wittig olefination3
• Achiral N-hydroxyformamide inhibitors of ADAM-TS4 and ADAM-TS5 for osteoarthritis treatment4
• Pentiptycenes for use as light-driven molecular brakes5Reactant for formation of archipelago structures for formation of petroleum asphaltenes6

Sigma Aldrich - 14005

Application
Crosslinking agent for tube-like natural halloysite / fluorelastomer nanocomposites1Reactant for synthesis of:
• Platinum chloro tetrazole complexes via azidation2
• Trans-stilbenes and cinnamates via Wittig olefination3
• Achiral N-hydroxyformamide inhibitors of ADAM-TS4 and ADAM-TS5 for osteoarthritis treatment4
• Pentiptycenes for use as light-driven molecular brakes5Reactant for formation of archipelago structures for formation of petroleum asphaltenes6

参考文献

• Wittig olefination with carbonyl compounds can be carried out under basic, 2-phase conditions; the phosphonium salt acts as its own phase-transfer catalyst: Synthesis, 295 (1973). See also Appendix 1.
• Benzylidene triphenylphosphoranes (formed with n-BuLi) are coupled by reaction with sulfur to give stilbenes, with elimination of triphenylphosphine sulfide: Chem. Ber., 103, 2995 (1970).