(Z)-(trimethylsilyl 2,2,2-trifluoro-N-(trimethylsilyl)ethenecarboximidate)

• ChemBase编号: 94118
• 分子式: C8H18F3NOSi2
• 平均质量: 257.4008296
• 单一同位素质量: 257.08790193
• SMILES: [Si](C)(C)(C)/N=C(/C(F)(F)F)\O[Si](C)(C)C
• Canonical SMILES: C[Si](O/C(=N\[Si](C)(C)C)/C(F)(F)F)(C)C
• InChI: InChI=1S/C8H18F3NOSi2/c1-14(2,3)12-7(8(9,10)11)13-15(4,5)6/h1-6H3
• InChIKey: XCOBLONWWXQEBS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (Z)-(trimethylsilyl 2,2,2-trifluoro-N-(trimethylsilyl)ethenecarboximidate); trimethylsilyl 2,2,2-trifluoro-N-(trimethylsilyl)ethanecarboximidate
• IUPAC传统名: (Z)-(trimethylsilyl 2,2,2-trifluoro-N-(trimethylsilyl)ethenecarboximidate); trimethylsilyl 2,2,2-trifluoro-N-(trimethylsilyl)ethanecarboximidate; bstfa
• 别名: N,O-双(三甲基硅基)三氟乙酰胺; 硅烷化混合物 Fluka V; N,O-双三甲硅基三氟乙酰胺; N,O-双(三甲基硅)三氟乙酰胺(含三甲基氯硅烷); N,O-Bis(trimethylsilyl)trifluoroacetamide; Silylating mixture Fluka V; BSTFA; Trimethylsilyl 2,2,2-trifluoro-N-(trimethylsilyl)ethanimidate; Trimethylsilyl 2,2,2-trifluoro-N-(trimethylsilyl)acetimidate; N,O-Bis(trimethylsilyl)trifluoroacetamide; Trimethylsilyl N-(trimethylsilyl)trifluoroacetimidate 99+%; BSTFA + TMCS; N,O-Bis(trimethylsilyl)trifluoroacetamide with trimethylchlorosilane; N,O-bis-(TRIMETHYLSILYL) TRIFLUOROACETAMIDE

登记号

• CAS号: 21149-38-2; 25561-30-2
• EC号: 247-103-9; 244-242-7
• MDL号: MFCD00008269
• Beilstein号: 2050024; 3607620
• PubChem SID: 162080773; 24864611; 24849213; 24849196; 24864621; 24867331; 24849493; 24849227
• PubChem CID: 9601896

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.308185
• LogD (pH = 7.4): 4.3086934
• Log P: 4.3087
• 摩尔折射率: 48.664 cm^3
• 极化性: 22.159882 Å^3
• 极化表面积: 21.59 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: APHA: ≤50; Liquid
• 熔点: -10°C; -10°C
• 沸点: 145-147°C; 45-50 °C/14 mmHg(lit.); 45-50°C @ 14mm; 45-50°C/14mm; 45-50°C/14mm
• 闪点: 15.8 °F; 23°C; 23°C(73°F); 24 °C; 24°C; 42.8 °F; 6 °C; 75.2 °F; -9 °C
• 密度: 0.961 g/mL at 25 °C; 0.969; 0.969 g/ml; 0.969 g/mL at 25 °C; 0.969 g/mL at 25 °C(lit.); 0.97 g/mL(lit.); 0.971
• 折射率: 1.3839; 1.3840; n20/D 1.384; n20/D 1.384(lit.)

安全信息

• 保存条件: 0°C, Desiccate
• 保存注意事项: Flammable/Corrosive/Moisture Sensitive/Keep Cold/Store under Argon; Moisture Sensitive
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 易燃性(Flammable) (F)
• 联合国危险货物编号: 1993; 2924; UN2924
• 德国WGK号: 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 2; 3; II; III
• 澳大利亚Hazchem: 3Y
• 危险公开号: 10-34; 11-14-35; 11-34; R:10
• 安全公开号: 16-26-36/37/39-45; 20-26-36/37/39-45; S:9-16-29
• 欧盟危险货物分类: F1
• 欧盟危险识别号(EUHIN): 3B
• 美国ERG指导号: 128
• TSCA收录: 否; 是
• GHS危险品标识: GHS02; GHS05
• GHS警示词: Danger
• GHS危险声明: H225-H314; H226-H314; H314-H318-H226
• GHS警示性声明: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P280-P305 + P351 + P338-P310; 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 2924 3/PG 2; UN 2924 3/PG 3
• 欧盟补充危害声明: Reacts violently with water.

产品相关信息

• 纯度: ≥97.5% (excluding TMCS, GC); ≥98.0%; ≥98.0% (GC); ≥98.5% (excluding chlorotrimethylsilane, GC); ≥99%; ≥99.0%; ≥99.0% (GC); 98% (excluding TMCS); 98+%; 99% (excluding TMCS); 99+%
• 级别: for GC; for GC derivatization; purum; synthesis grade
• 包装: packaged under Argon in resealable ChemSeal? bottles
• 杂质: 9.0-11.0% TMCS
• 其他组分: 1% TMCS; 10% TMCS
• 品质说明: with 1% trimethylchlorosilane; with 10% trimethylchlorosilane
• Derivatization reagent for: Silylations
• 线性分子式: CF3C[=NSi(CH3)3]OSi(CH3)3

详细说明

MP Biomedicals - 02150476

Silylating agent for amino acids, carbohydrates, and steroids.
1 ml = 0.97 g

Sigma Aldrich - 394653

Other Notes
甲硅烷基团的位置尚未明确确定。表示为 N,N 和 N,O 两种。
包装
10×1, 25 mL in ampule

Sigma Aldrich - 394858

Application
GC-MS 分析食品中糠醛含量的衍生化试剂。1
包装
5, 25 mL in ampule

Sigma Aldrich - 441104

Application
食品中糠醛含量的 GC-MS 分析中所用的衍生化试剂。1
Other Notes
甲硅烷基团的位置尚未明确确定。表示为 N,N 和 N,O 两种。
包装
25 mL in ampule

Sigma Aldrich - 15239

Other Notes
甲硅烷基团的位置尚未明确确定。表示为 N,N 和 N,O 两种。

Sigma Aldrich - 15209

Other Notes
甲硅烷基团的位置尚未明确确定。表示为 N,N 和 N,O 两种。
包装
10×1 mL in ampule
5 mL in glass bottle

Sigma Aldrich - 15238

Other Notes
甲硅烷基团的位置尚未明确确定。表示为 N,N 和 N,O 两种。
用于多种物质的硅烷化混合物1,2,3
包装
5, 25, 100 mL in glass bottle

Sigma Aldrich - 15222

包装
0.1 mL in glass bottle
144×0.1 mL in ampule
1, 5, 25 mL in glass bottle
Protocols & Applications
Derivatisation of Non-Steroidal Anti-Inflammatory Drugs with Activated Silylating Reagents

Sigma Aldrich - 15243

Other Notes
强效甲硅烷基化试剂1,2

Sigma Aldrich - 155195

Application
食品中糠醛含量的 GC-MS 分析中所用的衍生化试剂。1
包装
5, 25, 100 g in ampule

参考文献

• Powerful silylation reagent useful in GC and GC-MS for the derivatization of a wide range of functional groups under mild conditions, similar to N,O-Bis(trimethylsilyl)acetamide, L00183, with the advantage that both the reagent and its by-product, trifluoroacetamide, are more volatile than the corresponding non-fluorinated analogues: Biochem. Biophys. Res. Commun., 31, 616 (1968). See Appendix 4.