2,2,2-trifluoro-N-methyl-N-(trimethylsilyl)acetamide

• ChemBase编号: 10014
• 分子式: C6H12F3NOSi
• 平均质量: 199.2462896
• 单一同位素质量: 199.0640252
• SMILES: FC(F)(F)C(=O)N([Si](C)(C)C)C
• Canonical SMILES: CN([Si](C)(C)C)C(=O)C(F)(F)F
• InChI: InChI=1S/C6H12F3NOSi/c1-10(12(2,3)4)5(11)6(7,8)9/h1-4H3
• InChIKey: MSPCIZMDDUQPGJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,2-trifluoro-N-methyl-N-(trimethylsilyl)acetamide
• IUPAC传统名: 2,2,2-trifluoro-N-methyl-N-(trimethylsilyl)acetamide
• 别名: 含 1% 三甲基氯硅烷的 N-甲基-N-(三甲基硅烷基)三氟乙酰胺; MSTFA 活化物 III; N-甲基-N-(三甲基硅烷基)三氟乙酰胺咪唑混合物; N-甲基-N-(三甲基硅烷基)三氟乙酰胺活化物 III; N-三甲基硅基-N-甲基三氟乙酰胺; N-甲基-N-(三甲基硅基)三氟乙酰胺; N-甲基-N-(三甲基硅烷)三氟乙酰胺; N-Methyl-N-trimethylsilyltrifluoroacetamide; MSTFA; N-(Trifluoroacetyl)-N-(trimethylsilyl)methylamine; (N-Methyltrifluoroacetamido)trimethylsilane; N-Methyl-N-(trimethylsilyl)trifluoroacetamide; N-Trimethylsilyl-N-methyl trifluoroacetamide; N-Methyl-N-(trimethylsilyl)trifluoroacetamide with 1% trimethylchlorosilane; MSTFA activated III; N-Methyl-N-trimethylsilyltrifluoroacetamide imidazole mixture; N-Methyl-N-trimethylsilyltrifluoroacetamide activated III; N-Methyl-N-(trimethylsilyl)trifluoroacetamide; N-METHYL-N-(TRIMETHYLSILYL)-TRIFLUOROACETAMIDE; N-Trimethylsilyl-N-methyltrifluoroacetamide; 2,2,2-Trifluoro-N-methyl-N-(trimethylsilyl)acetamide; N-Methyl-N-trimethylsilyltrifluoracetamide; NSC 339701

登记号

• CAS号: 24589-78-4
• EC号: 246-331-6
• MDL号: MFCD00000411
• Beilstein号: 1941550
• PubChem SID: 24885931; 24847454; 24897196; 24885932; 160973321; 24845740; 24864622
• PubChem CID: 32510

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.0294
• LogD (pH = 7.4): 2.0294
• Log P: 2.0294
• 摩尔折射率: 36.9131 cm^3
• 极化性: 15.473485 Å^3
• 极化表面积: 20.31 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

• 沸点: 130-132 °C(lit.); 130-132°C; 130-132°C
• 闪点: 25°C; 25°C(77°F); 26 °C; 78.8 °F
• 密度: 1.07 g/mL at 25 °C(lit.); 1.074; 1.075 g/ml; 1.075 g/mL at 25 °C(lit.); 1.076
• 折射率: 1.38; 1.3800; n20/D 1.378; n20/D 1.379; n20/D 1.38(lit.); n20/D 1.380; n20/D 1.383
• 蒸汽压: 8.8 mm Hg (27°C); 8.8 mmHg ( 27 °C)
• 蒸汽密度: >1 (vs air)

安全信息

• 保存条件: 2-8°C
• 保存注意事项: Flammable/Irritant/Moisture Sensitive/Keep Cold/Store under Argon; IRRITANT, MOISTURE SENSITIVE, FLAMMABLE; Moisture Sensitive
• RTECS编号: AC9800000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 有毒(Toxic) (T); 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 1993; UN1993
• 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): 3; III
• 澳大利亚Hazchem: 3Y
• 危险公开号: 10-36/37/38; 61-10-36/37/38; R:11-36/37/38
• 安全公开号: 26; 26-36; 53-26-45; 7-26-33-37-43-60; S:16-20-25-26-37/39
• 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: true; 是
• GHS危险品标识: GHS02; GHS05; GHS07; GHS08
• GHS警示词: Danger; Warning
• GHS危险声明: H226-H315-H318-H335-H360D; H226-H315-H319-H335
• GHS警示性声明: P201-P261-P280-P305 + P351 + P338-P308 + P313; P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P305 + P351 + P338
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥97.0% (GC); ≥98.5%; ≥98.5% (GC); 97%
• 级别: for derivatization; for GC; for GC derivatization; puriss. p.a.; purum; synthesis grade
• 适用性: suitable for silylation
• Derivatization reagent for: Silylations
• 线性分子式: CF3CON(CH3)Si(CH3)3
• Empirical Formula (Hill Notation): C6H12F3NOSi

详细说明

MP Biomedicals - 02155675

(MSTFA) 1 ml = approx. 1.07 g

Apollo Scientific Ltd - PC0132

A powerful silylation reagent with volatile byproducts:J. Chromat., 115, 591 (1975); 134, 387 (1977).

Sigma Aldrich - M7891

包装
Sealed ampules contain 1 ml. Gram sizes are in screw-cap bottles.

Sigma Aldrich - 394866

包装
10×1, 5, 25 mL in ampule
Application
用于 GC-MS 分析挥发性衍生物的硅烷化试剂。1 用于同时检测类固醇激素 17-α-炔雌醇和雌酚酮的改进硅烷化方法。2

Sigma Aldrich - 69479

Other Notes
高效硅烷化试剂1,2,3,4
Protocols & Applications
Derivatisation of Non-Steroidal Anti-Inflammatory Drugs with Activated Silylating Reagents

Sigma Aldrich - 69478

Application
Addition of Trimethylchlorosilane aids in the derivatization of amides, secondary amines and hindered hydroxy groups. Most volatile of the TMS derivatives often elutes at the solvent front of the GC.

Sigma Aldrich - 12124

Analysis Note
用于 GC 和 GC-MS 中全(三甲基硅烷化)分析物的衍生化试剂1
Other Notes
用于 GC 和 GC-MS 中全(三甲基硅烷化)分析物的衍生化试剂1

Sigma Aldrich - 04438

Analysis Note
应用试验：适合用于硅烷化睾酮，进行 GC-MS 分析
包装
10×1mL 瓶装

Toronto Research Chemicals - M331125

A new metabolite of Famprofazone in humans.

参考文献

• Caldwell, J., et al.: Biochem. J., 129, 11 (1972)
• Oh, E., et al.: Xenobiotica, 22, 377 (1972)
• Shin, H.S., et al.: J. Anal. Toxicol., 22, 55 (1972)
• Powerful silylating agent for a wide range of functional groups: J. Chromat., 115, 591 (1975); 134, 387 (1977); Chromatographia, 9, 440 (1976). See Appendix 4.