2-fluoroacetamide

• ChemBase编号: 110134
• 分子式: C2H4FNO
• 平均质量: 77.0576632
• 单一同位素质量: 77.02769197
• SMILES: NC(=O)CF
• Canonical SMILES: NC(=O)CF
• InChI: InChI=1S/C2H4FNO/c3-1-2(4)5/h1H2,(H2,4,5)
• InChIKey: FVTWJXMFYOXOKK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-fluoroacetamide
• IUPAC传统名: fluoroacetamide
• 别名: 氟乙酰胺; FLUOROACETAMIDE; NSC 31876; Fluoroacetamide; 2-fluoroacetamide

登记号

• CAS号: 640-19-7
• EC号: 211-363-1
• MDL号: MFCD00008026
• Beilstein号: 1739054
• PubChem SID: 24870114; 24847848; 162095573
• PubChem CID: 12542
• CHEBI ID: 53124
• CHEMBL: 160811
• Chemspider ID: 12025
• KEGG ID: C18675
• 维基百科标题: Fluoroacetamide

理论计算性质

• Acid pKa: 12.945622
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.95644456
• LogD (pH = 7.4): -0.9564435
• Log P: -0.9564446
• 摩尔折射率: 14.476 cm^3
• 极化性: 5.56622 Å^3
• 极化表面积: 43.09 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Soluble in water
• 熔点: 106-108 °C; 106-108 °C(lit.); 107 - 109°C; 107 - 109°C
• 疏水性(logP): -0.941

安全信息

• RTECS编号: AC1225000
• 欧盟危险性物质标志: 剧毒(Highly toxic) (T+)
• 联合国危险货物编号: 2811
• 德国WGK号: 2
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 24-28; R:24-28
• 安全公开号: 36/37-45; S:45-36/37
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H300-H311
• GHS警示性声明: P264-P280-P301 + P310-P312
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 2

产品相关信息

• 纯度: ≥98.0% (GC); 95%
• 级别: purum
• 线性分子式: FCH2CONH2

详细说明

Sigma Aldrich - 128341

包装
5 g in glass bottle
Application
Reactant involved in:
• C-N coupling to amides and nitrogen-containing heterocycles1
• Substitution in aryl triflates2Used in mass databases for screening of pesticide residues via fast liquid chromatography TOF mass spectrometry3

Sigma Aldrich - 46390

Application
Reactant involved in:
• C-N coupling to amides and nitrogen-containing heterocycles1
• Substitution in aryl triflates2Used in mass databases for screening of pesticide residues via fast liquid chromatography TOF mass spectrometry3