1-fluoro-2-(1-fluoropyridin-1-ium-2-yl)pyridin-1-ium; bis(tetrafluoroboranuide)

• ChemBase编号: 9860
• 分子式: C10H8B2F10N2
• 平均质量: 367.789952
• 单一同位素质量: 368.07139127
• SMILES: c1(c2cccc[n+]2F)cccc[n+]1F.F[B-](F)(F)F.F[B-](F)(F)F
• Canonical SMILES: F[B-](F)(F)F.F[B-](F)(F)F.F[n+]1ccccc1c1cccc[n+]1F
• InChI: InChI=1S/C10H8F2N2.2BF4/c11-13-7-3-1-5-9(13)10-6-2-4-8-14(10)12;2*2-1(3,4)5/h1-8H;;/q+2;2*-1
• InChIKey: IDFABAACDRPWQX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-fluoro-2-(1-fluoropyridin-1-ium-2-yl)pyridin-1-ium; bis(tetrafluoroboranuide)
• IUPAC传统名: 1-fluoro-2-(1-fluoropyridin-1-ium-2-yl)pyridin-1-ium ditetrafluoroborate
• 别名: 1,1′-二氟-2,2′-联吡啶双四氟硼酸盐; 1,1′-Difluoro-2,2′-bipyridinium bis(tetrafluoroborate); MEC-31; N,N'-Difluoro-2,2'-bipyridinium bis(tetrafluoroborate); N,N'-Difluoro-2,2'-bipyridinium bis(tetrafluoroborate) 98%

登记号

• CAS号: 178439-26-4
• MDL号: MFCD01073546
• PubChem SID: 24871924; 160973167
• PubChem CID: 2733931

理论计算性质

• Acid pKa: 14.012319
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -3.5962296
• LogD (pH = 7.4): -3.5962296
• Log P: -3.5962296
• 摩尔折射率: 53.3768 cm^3
• 极化性: 19.254253 Å^3
• 极化表面积: 7.76 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: 166-168°C; 175 °C (dec.)(lit.)

安全信息

• 保存注意事项: CORROSIVE; Corrosive/Keep Cold
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 3261
• 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
• 危险公开号: 22-34
• 安全公开号: 26-27-36/37/39-45
• TSCA收录: false
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Danger
• GHS危险声明: H302-H314
• GHS警示性声明: P280-P305 + P351 + P338-P310
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 2
• 保存温度: 2-8°C

产品相关信息

• 纯度: 98%
• Empirical Formula (Hill Notation): C10H8B2F10N2

详细说明

Apollo Scientific Ltd - PC6095

Fluorinating agent (103g/Kg effective F2), ask for literature

Sigma Aldrich - 483885

包装
1 g in glass bottle
Application

• Fluorinating agent1Reactant for:
• Electrophilic fluorination2,3
• Preparation of electrophiles from common anions via fluorination4