1,3-dimethylimidazolidin-2-one

• ChemBase ID: 74500
• Molecular Formular: C5H10N2O
• Molecular Mass: 114.1457
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dimethylimidazolidin-2-one
• IUPAC Traditional name: 1,3-dimethyl-2-imidazolidinone
• Synonyms: 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; N,N′-二甲基亚乙基脲; 1,3-二甲基-2-咪唑啉酮

Database IDs

• CAS Number: 80-73-9
• EC Number: 201-304-8
• MDL Number: MFCD00003188
• Beilstein Number: 108808
• Merck Index: 143249
• PubChem SID: 24851595; 24865436; 162039419; 24865439
• PubChem CID: 6661
• CHEMBL: 12338
• Chemspider ID: 6409
• Wikipedia Title: 1,3-Dimethyl-2-imidazolidinone

CALCULATED PROPERTIES

• Polarizability: 11.584517 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.64065456
• LogD (pH = 7.4): -0.64065456
• Log P: -0.64065456
• Molar Refractivity: 30.7604 cm^3

PROPERTIES

Physical Property

• Apperance: Clear liquid
• Melting Point: 8°C; 8.2°C; 8°C
• Boiling Point: 224-226 °C(lit.); 224-226°C; 224-226°C; 225°C
• Flash Point: 102 °C; 102°C; 120 °C; 215.6 °F; 93°C(199°F)
• Density: 1.056; 1.056 g/mL at 25 °C(lit.); 1.058
• Refractive Index: 1.4720; n20/D 1.472; n20/D 1.472(lit.)

Safety Information

• Storage Warning: Hygroscopic; Toxic/Harmful/Hygroscopic/Keep Cold/Store under Argon
• RTECS: NJ0660000
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 2810; UN2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 21/22-36/38; 21/22-38-41; R:22-27
• Safety Statements: 26-36; 26-36/37; S:36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H311-H315-H318; H302-H312-H315-H319-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P403+P235-P501A; P280-P305 + P351 + P338-P312
• Personal Protective Equipment: 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

Product Information

• Purity: ≥99.0% (GC); ≥99.5%; ≥99.5% (GC); 97%; 98%
• Grade: absolute; reagent grade
• Suitability: GC-Headspace tested
• Quality: over molecular sieve (H2O ≤0.04%)
• Empirical Formula (Hill Notation): C5H10N2O

DETAILS

MP Biomedicals - 05221798

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 40725

Other Notes
Aprotic, dipolar solvent which often can be used as a substitute for the carcinogenic HMPA 1,2,3,4
Solvent used in various synthetic organic transformations. Studied in the formation of functionally stabilized hydrosilanediyl-transition metal complexes produced photochemically from arylsilanes.
Packaging
100, 500 mL in Sure/Seal™

Sigma Aldrich - 193453

Other Notes
Solvent used in various synthetic organic transformations.1,2 Studied in the formation of functionally stabilized hydrosilanediyl-transition metal complexes produced photochemically from arylsilanes.3
Packaging
1 kg in poly bottle
25, 100 g in poly bottle

Sigma Aldrich - 40727

Other Notes
Solvent used in various synthetic organic transformations.1,2 Studied in the formation of functionally stabilized hydrosilanediyl-transition metal complexes produced photochemically from arylsilanes.3
Packaging
1 L in glass bottle
100 mL in glass bottle

Sigma Aldrich - 67484

Other Notes
Solvent used in various synthetic organic transformations.1,2 Studied in the formation of functionally stabilized hydrosilanediyl-transition metal complexes produced photochemically from arylsilanes.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

REFERENCES

• 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).