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

• ChemBase编号: 53037
• 分子式: C5H3F6NO2
• 平均质量: 223.0732392
• 单一同位素质量: 223.00679766
• SMILES: C(=O)(N(C)C(=O)C(F)(F)F)C(F)(F)F
• Canonical SMILES: CN(C(=O)C(F)(F)F)C(=O)C(F)(F)F
• InChI: InChI=1S/C5H3F6NO2/c1-12(2(13)4(6,7)8)3(14)5(9,10)11/h1H3
• InChIKey: AWGBWLXGUPTXHF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,2-trifluoro-N-methyl-N-(trifluoroacetyl)acetamide
• IUPAC传统名: 2,2,2-trifluoro-N-methyl-N-(trifluoroacetyl)acetamide
• 别名: N-甲基-双(三氟乙酰胺); 2,2,2-Trifluoro-N-methyl-N-(2,2,2-trifluoroacetyl)acetamide; MBTFA; N-Methyl-2,2,2-trifluoro-N-(trifluoroacetyl)acetamide; N,N-Bis(trifluoroacetyl)methylamine; N-Methylbis(trifluoroacetamide) 98%; N-Methylbis(trifluoroacetamide) 99+%; N-METHYL-bis-(TRI-FLUOROACETAMIDE); N-Methyl-bis(trifluoroacetamide)

登记号

• CAS号: 685-27-8
• EC号: 211-680-5
• MDL号: MFCD00000412
• Beilstein号: 1878402
• PubChem SID: 24884423; 24896572; 162057800
• PubChem CID: 69635

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.4466534
• LogD (pH = 7.4): 1.4466534
• Log P: 1.4466534
• 摩尔折射率: 30.9489 cm^3
• 极化性: 11.311375 Å^3
• 极化表面积: 37.38 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: 120-122°C; 121-122 °C(lit.); 123-124°C
• 闪点: 113 °F; 42°C; 45 °C
• 密度: 1.547; 1.547 g/mL at 25 °C; 1.55 g/ml
• 折射率: 1.346; n20/D 1.346; n20/D 1.346(lit.)

安全信息

• 保存条件: 2-8°C, Desiccate
• 保存注意事项: Flammable/Corrosive/Moisture Sensitive; Flammable/Corrosive/Moisture Sensitive/Store under Argon/Keep Cold; IRRITANT
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 2920
• 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
• 危险公开号: 10-34
• 安全公开号: 26-36/37/39-45
• TSCA收录: false
• GHS危险品标识: GHS02; GHS05
• GHS警示词: Danger
• GHS危险声明: H226-H314
• GHS警示性声明: 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 2920 8/PG 2
• 保存温度: 2-8°C

产品相关信息

• 纯度: ~95% (capillary GC); ~98% (GC); ≥97.0% (GC); ≥99.0% (GC); 98%
• 级别: for GC derivatization; purum
• 适用性: complies for derivatization
• 适用分析物: (alcohols)
• Derivatization reagent for: Acylations; Silylations
• 线性分子式: CF3CON(CH3)COCF3

详细说明

MP Biomedicals - 02155674

(MBTFA) 1 ml = approx. 1.55 g

Apollo Scientific Ltd - PC3047

Trifluoroacetylating reagent for alcohols, thiols, phenols, carboxylic acids and amides.

Sigma Aldrich - M0789

Application
用于引入三氟乙酰基团的试剂。
包装
5 mL in glass bottle

Sigma Aldrich - M9513

Application
用于引入三氟乙酰基团的试剂。

Sigma Aldrich - 65945

Application
用于引入三氟乙酰基团的试剂。

Sigma Aldrich - 65943

Application
用于引入三氟乙酰基团的试剂。
Other Notes
在温和条件下进行三氟乙酰化的试剂1,2