bis(acetic acid); trifluoroborane

• ChemBase编号: 144790
• 分子式: C4H8BF3O4
• 平均质量: 187.9101296
• 单一同位素质量: 188.0467738
• SMILES: B(F)(F)F.CC(=O)O.CC(=O)O
• Canonical SMILES: CC(=O)O.CC(=O)O.FB(F)F
• InChI: InChI=1S/2C2H4O2.BF3/c2*1-2(3)4;2-1(3)4/h2*1H3,(H,3,4)
• InChIKey: COTMJGCQSLZICX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: bis(acetic acid); trifluoroborane
• IUPAC传统名: bis(acetic acid); boron trifluoride
• 别名: 三氟化硼乙酸络合物; Boron trifluoride-acetic acid complex; Boron trifluoride acetic acid complex

登记号

• CAS号: 373-61-5
• EC号: 206-768-5
• MDL号: MFCD00036359
• Beilstein号: 3686517; 3686177
• PubChem SID: 162239002; 24862129; 24849687
• PubChem CID: 11116786

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.2242727
• LogD (pH = 7.4): -2.9968748
• Log P: -0.22334571
• 摩尔折射率: 12.6437 cm^3
• 极化性: 5.030792 Å^3
• 极化表面积: 37.3 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true
• Acid pKa: 4.54344

分子性质

理化性质

• 熔点: -47°C
• 沸点: 143-146°C
• 闪点: 181.4 °F; 83 °C; 83°C(181°F)
• 密度: 1.353; 1.353 g/mL at 20 °C(lit.); 1.353 g/mL at 25 °C(lit.)
• 折射率: 1.3670; n20/D 1.368(lit.)

安全信息

• 保存注意事项: Moisture Sensitive
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 有毒(Toxic) (T)
• 联合国危险货物编号: 1742; UN1742
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 22-23-34; 22-34
• 安全公开号: 26-36/37/39-45
• TSCA收录: 是
• GHS危险品标识: GHS05; GHS06; GHS07
• GHS警示词: Danger
• GHS危险声明: H301-H330-H314-H318-H227; H302-H314
• GHS警示性声明: P210-P301+P310-P303+P361+P353-P304+P340-P305+P351+P338-P320-P330-P405-P501A; 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 1742 8/PG 2

产品相关信息

• 纯度: ~36% BF3 basis; 96%; 98%
• 级别: technical
• 线性分子式: BF3 · 2CH3COOH

详细说明

Sigma Aldrich - 359955

包装
1 L in glass bottle
5, 250 mL in glass bottle

参考文献

• Mild acid catalyst which has found use as a desilylating agent: Allylsilanes undergo desilylation, via ?-stabilized carbocations, to give alkenes with allylic rearrangement: Tetrahedron Lett., 446 (1979); J. Chem. Soc., Perkin 1, 3267 (1992). -Silyl tertiary alcohols undergo a pinacol-like rearrangement to give alkenes: Tetrahedron Lett., 22, 2321 (1981). Has been used in the protodesilylation of the phenyl group as part of the conversion of the dimethylphenylsilyl group into a hydroxyl group with retention of configuration: J. Chem. Soc., Perkin 1, 317 (1995). For reaction scheme, see Chlorodimethylphenylsilane, A15638.