(difluoro-λ4-sulfanylidene)diethylazanium; tetrafluoroboranuide

• ChemBase编号: 143011
• 分子式: C4H10BF6NS
• 平均质量: 228.9953192
• 单一同位素质量: 229.05312005
• SMILES: [B-](F)(F)(F)F.CC[N+](=S(F)F)CC
• Canonical SMILES: F[B-](F)(F)F.CC[N+](=S(F)F)CC
• InChI: InChI=1S/C4H10F2NS.BF4/c1-3-7(4-2)8(5)6;2-1(3,4)5/h3-4H2,1-2H3;/q+1;-1
• InChIKey: YLNKFQWRRIXZPJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (difluoro-λ^4-sulfanylidene)diethylazanium; tetrafluoroboranuide
• IUPAC传统名: (difluoro-λ^4-sulfanylidene)diethylazanium tetrafluoroborate
• 别名: (二乙氨基)二氟锍鎓四氟硼酸盐; N,N-二乙基-S,S-二氟烃基硫亚胺四氟硼酸盐; N,N-二乙氨基-S,S-二氟锍鎓四氟硼酸盐; N-(二氟-λ4-硫酮)-N-乙基-乙铵四氟硼酸盐; DAST 二氟锍鎓盐; (Diethylamino)difluorosulfonium tetrafluoroborate; N,N-Diethyl-S,S-difluorosulfiliminium tetrafluoroborate; N,N-Diethylamino-S,S-difluorosulfinium tetrafluoroborate; N-(Difluoro-λ4-sulfanylidene)-N-ethyl-ethanaminium tetrafluoroborate; DAST difluorosulfinium salt; XtalFluor-E®

登记号

• CAS号: 63517-29-3
• MDL号: MFCD15144877
• PubChem SID: 162237236
• PubChem CID: 44517918

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -2.0204198
• LogD (pH = 7.4): -2.0204198
• Log P: -2.0204198
• 摩尔折射率: 32.149 cm^3
• 极化性: 12.308618 Å^3
• 极化表面积: 3.01 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 84-87 °C

安全信息

• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 联合国危险货物编号: 2923
• 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): 3
• 危险公开号: 14-23/24/25-34
• 安全公开号: 26-36/37/39-45
• GHS危险品标识: GHS05; GHS06
• GHS警示词: Danger
• GHS危险声明: H301-H311-H314-H331
• GHS警示性声明: P261-P280-P301 + P310-P305 + P351 + P338-P310
• RID/ADR: UN 2923 8/PG 3
• 欧盟补充危害声明: Reacts violently with water.
• 保存温度: 2-8°C

产品相关信息

• Empirical Formula (Hill Notation): C4H10BF6NS

详细说明

Sigma Aldrich - 719439

包装
1 kg in poly bottle
5, 25, 250 g in poly bottle
Application
Convenient crystalline highly chemoselective deoxofluorination reagent with a broad substrate scopeDeoxofluorination reagent with a better safety profile1, that doesn′t generate corrosive HF2 which makes it suitable for use in standard borosilicate vessels, and does not react violently with water3Reactant for:
• Preparation of fluorodisaccharides4
法律信息
XtalFluor-E 注册商标 OmegaChem, Inc.