(bromomethyl)triphenylphosphanium bromide

• ChemBase编号: 148354
• 分子式: C19H17Br2P
• 平均质量: 436.120041
• 单一同位素质量: 433.94346117
• SMILES: c1ccc(cc1)[P+](CBr)(c1ccccc1)c1ccccc1.[Br-]
• Canonical SMILES: BrC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• InChI: InChI=1S/C19H17BrP.BrH/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: YFTMLUSIDVFTKU-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: (bromomethyl)triphenylphosphanium bromide
• IUPAC传统名: (bromomethyl)triphenylphosphanium bromide
• 别名: (溴甲基)三苯基溴化磷; NSC 193751; (Bromomethyl)triphenylphosphonium bromide; (Bromomethyl)triphenylphosphonium bromide

登记号

• CAS号: 1034-49-7
• EC号: 213-857-2
• MDL号: MFCD00011864
• Beilstein号: 3579901
• PubChem SID: 24856314; 162242530
• PubChem CID: 2733422

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.226911
• LogD (pH = 7.4): 5.226911
• Log P: 5.226911
• 摩尔折射率: 94.6427 cm^3
• 极化性: 36.872368 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: 234-236 °C(lit.); 234-239 °C

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: 26-28
• 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); 95+%; 98%
• 级别: purum
• 线性分子式: BrCH2P(Br)(C6H5)3

详细说明

Sigma Aldrich - 269158

包装
5, 25 g in glass bottle
Application
Reactant or reagent for synthesis of:
• Vernonia allenes and sesquiterpenoids1
• Monohalovinylated pyrethoids with insecticidal activity2
• Vitamin D analogs with anticancer activity3Reactant for:
• Asymmetric substitution affecting optical properties of boradiazaindacene dyes4
• Carbanionic rearrangements of halomethylenecyclobutanes5Used for diferrocenyl molecular wires6

Sigma Aldrich - 17626

Other Notes
Wittig 试剂，用于合成溴烯烃，也可由醛合成炔7,8,9,10
Application
Reactant or reagent for synthesis of:
• Vernonia allenes and sesquiterpenoids1
• Monohalovinylated pyrethoids with insecticidal activity2
• Vitamin D analogs with anticancer activity3Reactant for:
• Asymmetric substitution affecting optical properties of boradiazaindacene dyes4
• Carbanionic rearrangements of halomethylenecyclobutanes5Used for diferrocenyl molecular wires6