1,3-dimethylimidazolidin-2-one

• ChemBase编号: 74500
• 分子式: C5H10N2O
• 平均质量: 114.1457
• 单一同位素质量: 114.07931295
• SMILES: N1(CCN(C1=O)C)C
• Canonical SMILES: CN1CCN(C1=O)C
• InChI: InChI=1S/C5H10N2O/c1-6-3-4-7(2)5(6)8/h3-4H2,1-2H3
• InChIKey: CYSGHNMQYZDMIA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,3-dimethylimidazolidin-2-one
• IUPAC传统名: 1,3-dimethyl-2-imidazolidinone
• 别名: N,N′-二甲基亚乙基脲; 1,3-二甲基-2-咪唑啉酮; Tetrahydro-2H-imidazol-2-one; 1,3-Dimethyl-2-oxoimidazolidine; 1,3-Dimethylimidazolidin-2-one; 1,3-DIMETHYL-2-IMIDAZOLIDINONE; Dimethylethyleneurea; N,N'-Dimethylimidazolidinone; DMEU; DMI; N,N′-Dimethylethyleneurea; 1,3-Dimethyl-2-imidazolidinone; N,N'-Dimethylethyleneurea

登记号

• CAS号: 80-73-9
• EC号: 201-304-8
• MDL号: MFCD00003188
• Beilstein号: 108808
• 默克索引号: 143249
• PubChem SID: 162039419; 24865436; 24865439; 24851595
• PubChem CID: 6661
• CHEMBL: 12338
• Chemspider ID: 6409
• 维基百科标题: 1,3-Dimethyl-2-imidazolidinone

理论计算性质

• 极化性: 11.584517 Å^3
• 极化表面积: 23.55 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -0.64065456
• LogD (pH = 7.4): -0.64065456
• Log P: -0.64065456
• 摩尔折射率: 30.7604 cm^3

分子性质

理化性质

• 外观: Clear liquid
• 熔点: 8°C; 8.2°C; 8°C
• 沸点: 224-226 °C(lit.); 224-226°C; 224-226°C; 225°C
• 闪点: 102 °C; 102°C; 120 °C; 215.6 °F; 93°C(199°F)
• 密度: 1.056; 1.056 g/mL at 25 °C(lit.); 1.058
• 折射率: 1.4720; n20/D 1.472; n20/D 1.472(lit.)

安全信息

• 保存注意事项: Hygroscopic; Toxic/Harmful/Hygroscopic/Keep Cold/Store under Argon
• RTECS编号: NJ0660000
• 欧盟危险性物质标志: X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: 2810; UN2810
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3; III
• 危险公开号: 21/22-36/38; 21/22-38-41; R:22-27
• 安全公开号: 26-36; 26-36/37; S:36/37/39
• TSCA收录: 是
• GHS危险品标识: GHS05; GHS06; GHS07
• GHS警示词: Danger
• GHS危险声明: H302-H311-H315-H318; H302-H312-H315-H319-H227
• GHS警示性声明: P210-P305+P351+P338-P302+P352-P321-P403+P235-P501A; P280-P305 + P351 + P338-P312
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 6.1/PG 3

产品相关信息

• 纯度: ≥99.0% (GC); ≥99.5%; ≥99.5% (GC); 97%; 98%
• 级别: absolute; reagent grade
• 适用性: GC-Headspace tested
• 品质说明: over molecular sieve (H2O ≤0.04%)
• Empirical Formula (Hill Notation): C5H10N2O

详细说明

MP Biomedicals - 05221798

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 40725

Other Notes
偶极非质子溶剂，常用作致癌剂 HMPA 的替代物1,2,3,4
用于多种有机合成转化反应的溶剂。研究芳基硅烷光化学反应生成稳定官能团氢硅烷二基-过渡金属络合物。
包装
100, 500 mL in Sure/Seal™

Sigma Aldrich - 193453

Other Notes
用于多种有机合成转化反应的溶剂。1,2研究芳基硅烷光化学反应生成稳定官能团氢硅烷二基-过渡金属络合物。3
包装
1 kg in poly bottle
25, 100 g in poly bottle

Sigma Aldrich - 40727

Other Notes
用于多种有机合成转化反应的溶剂。1,2研究芳基硅烷光化学反应生成稳定官能团氢硅烷二基-过渡金属络合物。3
包装
1 L in glass bottle
100 mL in glass bottle

Sigma Aldrich - 67484

Other Notes
用于多种有机合成转化反应的溶剂。1,2研究芳基硅烷光化学反应生成稳定官能团氢硅烷二基-过渡金属络合物。3
General description
Watch a 6-minute presentation that demonstrates the effective use of our High Purity Solvents for GC Headspace Analysis
Protocols & Applications
The Utility of Headspace Grade Solvents for the Analysis of Organic Volatile Impurities

参考文献

• High-boiling polar aprotic solvent which has been recommended as a replacement for the carcinogenic hexamethylphosphoric triamide, HMPA. It is stable to alkali metals and strong bases: J. Organomet. Chem., 92, C46 (1975); 117, 149 (1976).
• For example, it has been used as a solvent for the displacement of non-activated aryl halides by thiolates: Tetrahedron Lett., 23, 4131 (1982); J. Org. Chem., 44, 2642 (1979); 45, 4376 (1980); and as a superior solvent in the Ullmann aryl ether synthesis: Chem. Lett., 899 (1988).