2-chloro-1-(morpholin-4-yl)ethan-1-one

• ChemBase编号: 77601
• 分子式: C6H10ClNO2
• 平均质量: 163.6021
• 单一同位素质量: 163.04000625
• SMILES: N1(CCOCC1)C(=O)CCl
• Canonical SMILES: ClCC(=O)N1CCOCC1
• InChI: InChI=1S/C6H10ClNO2/c7-5-6(9)8-1-3-10-4-2-8/h1-5H2
• InChIKey: YMQRPXBBBOXHNZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-chloro-1-(morpholin-4-yl)ethan-1-one
• IUPAC传统名: morpholine, 4-(chloroacetyl)-
• 别名: 4-(2-氯乙酰基)吗啉; 2-氯-1-(4-吗啉基)乙酮; 2-氯-1-吗啉乙酮; 4-(2-氯乙酰)吗啉; 4-吗啉基羰基甲基氯; N-(氯乙酰)吗啉; 吗啉氯乙酰胺; 2-氯-1-吗琳乙-1-酮; 4-(2-Chloroacetyl)morpholine; 2-chloro-1-morpholinoethan-1-one; 2-Chloro-1-(4-morpholinyl)ehanone; 2-Chloro-1-(morpholin-4-yl)ethanone; 2-Chloro-1-morpholino-1-ethanone; NSC 54542; 2-Morpholino-2-oxoethyl chloride; Chloroacetic acid morpholine amide; 2-Chloro-1-(4-morpholinyl)ethanone; 2-Chloro-1-morpholinoethanone; 4-Morpholinylcarbonylmethyl chloride; N-(Chloroacetyl)morpholine; Chloroacetic acid morpholide; Morpholine chloroacetamide; 4-(Chloroacetyl)morpholine; 4-(chloroacetyl)morpholine

登记号

• CAS号: 1440-61-5
• EC号: 215-880-3
• MDL号: MFCD00721939
• PubChem SID: 162042473
• PubChem CID: 74040

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -0.26409283
• LogD (pH = 7.4): -0.26409283
• Log P: -0.26409283
• 摩尔折射率: 38.087 cm^3
• 极化性: 14.896365 Å^3
• 极化表面积: 29.54 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

• 熔点: 26-30 °C; 27-30°C; 27-30°C
• 闪点: >110 °C; >230 °F
• 密度: 1.257 g/mL at 25 °C
• 折射率: n20/D 1.512
• 分配系数: -0.266

安全信息

• 保存注意事项: Irritant
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 有害性(Harmful) (Xn)
• 联合国危险货物编号: UN3261
• 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): III
• 危险公开号: 22; 34
• 安全公开号: 20-26-36/37/39-45
• TSCA收录: 否
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H319; H314-H318
• GHS警示性声明: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; 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

产品相关信息

• 纯度: 95%; 95+%; 97%; 97+%
• Empirical Formula (Hill Notation): C6H10ClNO2

详细说明

Sigma Aldrich - 699357

包装
5, 25 g in glass bottle

Toronto Research Chemicals - C363700

The chloroacetyl derivatives are microbicides for adhesives, cellulose foams, oil emulsions, cooling water, etc.

参考文献

• Stephenson, G.R., et al.: J. Agric. Food Chem., 26, 137 (1978)