iminooxidanium; tetrafluoroboranuide

• ChemBase编号: 98307
• 分子式: BF4NO
• 平均质量: 116.8107128
• 单一同位素质量: 117.00090691
• SMILES: N#[O+].[B-](F)(F)(F)F
• Canonical SMILES: F[B-](F)(F)F.[O+]#N
• InChI: InChI=1S/BF4.NO/c2-1(3,4)5;1-2/q-1;+1
• InChIKey: KGCNVGDHOSFKFT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: iminooxidanium; tetrafluoroboranuide
• IUPAC传统名: nitrosonium tetrafluoroborate
• 别名: 四氟硼酸亚硝; 亚硝四氟硼酸盐; 四氟硼酸亚硝鎓; Nitrosyl tetrafluoroborate; Nitrosonium tetrafluoroborate 98%; Nitrosonium tetrafluoroborate; Nitrosyl tetrafluoroborate; Nitrosonium tetrafluoroborate

登记号

• CAS号: 14635-75-7
• EC号: 238-679-2
• MDL号: MFCD00011433
• 默克索引号: 146649
• PubChem SID: 162084753; 24850360; 24886632
• PubChem CID: 11137142

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -1.13
• LogD (pH = 7.4): -1.13
• Log P: -1.13
• 摩尔折射率: 6.0052 cm^3
• 极化性: 3.1085358 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 250(subl.)°C; 250°C subl.
• 沸点: 250°C/0.01mm subl.
• 密度: 2.185

安全信息

• 保存注意事项: Corrosive/Moisture Sensitive/Store under Argon/Keep Cold; Moisture Sensitive
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 3260; UN3260
• 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: 31-34; 34
• 安全公开号: 26-36/37/39-45; 7/8-26-36/37/39-45
• TSCA收录: 是
• GHS危险品标识: GHS05
• GHS警示词: Danger
• GHS危险声明: H314; H314-H318
• GHS警示性声明: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; 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 3260 8/PG 2
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98.0% (T); 95%; 98%
• 级别: purum
• 线性分子式: NOBF4

详细说明

Apollo Scientific Ltd - PC5290

Versatile crystalline nitrosating agent. Converts arylamines to aryl fluorides via diazonium tetrafluoroborates: Chem. Ber., 88, 1939 (1995).. in Teflon bottles

Sigma Aldrich - 175064

包装
5, 25, 50 g in amber poly

参考文献

• Undergoes an interesting insertion reaction with diarylcyclopropanes: Chem. Lett., 233 (1988):
  
• With excess reagent, oxidation of the isoxazoline to the isoxazole occurs.
• Crystalline nitrosating agent: Secondary amines to nitrosamines: Chem. Ber., 89, 2374 (1956); deamination of primary amides: J. Org. Chem., 30, 2386 (1965); conversion of arylhydrazines to azides: Tetrahedron Lett., 28, 5091 (1987). In organic solvents, converts arylamines directly to diazonium tetrafluoroborates which undergo the Balz-Schiemann reaction (see Tetrafluoroboric acid, L14037) in situ to give high yields of aryl fluorides: Chem. Ber., 88, 1939 (1955); EP 430,434 (1991). Methyl or methoxy substituted aromatics in acetonitrile give the nitrosoaromatics in good yield: J. Org. Chem., 59, 5573 (1994).
• Convenient catalyst for iodination of aromatics by iodide ion with air as oxidant: J. Org. Chem., 53, 3548 (1988), or for addition of iodine (or iodine + nucleophile) to alkenes: Acta Chem. Scand. B, 43, 902 (1989).