1,1,1-trifluoro-N-(6Li)lithio-N-trifluoromethanesulfonylmethanesulfonamide

• ChemBase编号: 136276
• 分子式: C2F6LiNO4S2
• 平均质量: 286.161242
• 单一同位素质量: 285.9324166
• SMILES: [6Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
• Canonical SMILES: [6Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
• InChI: InChI=1S/C2F6NO4S2.Li/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q-1;+1/i;1-1
• InChIKey: QSZMZKBZAYQGRS-HCMAANCNSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1-trifluoro-N-(^6Li)lithio-N-trifluoromethanesulfonylmethanesulfonamide
• IUPAC传统名: 1,1,1-trifluoro-N-(^6Li)lithio-N-trifluoromethanesulfonylmethanesulfonamide
• 别名: 双(三氟甲基磺酰)胺; 双(三氟甲烷)磺酰亚胺; Bis(trifluoromethane)sulfonimide lithium-6Li salt; Bis(trifluoromethylsulfonyl)amine lithium-6Li salt; Lithium-6Li bistrifluoromethanesulfonimidate

登记号

• MDL号: MFCD20264871
• PubChem SID: 162230547
• PubChem CID: 71309701

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.8436
• LogD (pH = 7.4): 2.8436
• Log P: 2.8436
• 摩尔折射率: 31.3346 cm^3
• 极化性: 15.299877 Å^3
• 极化表面积: 71.52 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: 234-238 °C(lit.)
• 质量偏移: M-1

安全信息

• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 德国WGK号: 3
• 危险公开号: 24/25-34-48/22-52/53
• 安全公开号: 22-26-36/37/39-45-61
• GHS危险品标识: GHS05; GHS06; GHS08
• GHS警示词: Danger
• GHS危险声明: H301-H311-H314-H373-H412
• GHS警示性声明: P273-P280-P301 + P310-P305 + P351 + P338-P310

产品相关信息

• 纯度: 98% (CP)
• 同位素纯度: 95 atom % 6Li
• Mol. Weight: mol wt 286.21 by atom % calculation
• 线性分子式: CF3SO2N6LiSO2CF3

详细说明

Sigma Aldrich - 736562

包装
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.