trifluoro(oxolan-1-ium-1-yl)boranuide

• ChemBase编号: 147981
• 分子式: C4H8BF3O
• 平均质量: 139.9119296
• 单一同位素质量: 140.06202994
• SMILES: [B-]([O+]1CCCC1)(F)(F)F
• Canonical SMILES: F[B-]([O+]1CCCC1)(F)F
• InChI: InChI=1S/C4H8BF3O/c6-5(7,8)9-3-1-2-4-9/h1-4H2
• InChIKey: XYMZNNGTHKHCJH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: trifluoro(oxolan-1-ium-1-yl)boranuide
• IUPAC传统名: trifluoro(oxolan-1-ium-1-yl)boranuide
• 别名: 三氟化硼四氢呋喃络合物; Boron trifluoride tetrahydrofuran complex

登记号

• CAS号: 462-34-0
• EC号: 207-325-9
• MDL号: MFCD00040372
• PubChem SID: 162242161; 24867185
• PubChem CID: 60146129

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -1.5059
• LogD (pH = 7.4): -1.5059
• Log P: -1.5059
• 摩尔折射率: 36.5532 cm^3
• 极化性: 11.20785 Å^3
• 极化表面积: 13.59 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 11-13 °C(lit.)
• 沸点: 180 °C(lit.)
• 闪点: 197.6 °F; 92 °C
• 密度: 1.268 g/mL at 25 °C(lit.)

安全信息

• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 3265
• 德国WGK号: 1
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 34
• 安全公开号: 26-27-36/37/39-45
• GHS危险品标识: GHS05
• GHS警示词: Danger
• GHS危险声明: H314
• GHS警示性声明: P280-P305 + P351 + P338-P310
• 个人保护装置: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 2

产品相关信息

• 其他组分: >0.5% sulfur dioxide as peroxide formation suppressor
• 线性分子式: BF3 · THF

详细说明

Sigma Aldrich - 434280

Application
广泛地用作聚合引发剂。7,8
Reactant or reagent involved in:
• Deoxofluorination of alcohols and carbonyls1
• Synthesis of methacrylate-PEG-methacrylate-boron trifluoride self-doped gel polymer electrolytes2
• Hydroboration-oxidation of divinylferrocene3Reagent involved in the synthesis of biologically active molecules such as:
• NK1 receptor antagonists4
• Complex polyketide natural products5
• Selective serotonin reuptake inhibitors6
包装
100, 500 mL in glass bottle