Oxazolidin-2,5-dion

oxazolidine-2,5-dione · GLY-NCA · L-Gly-NCA · 2,5-OXAZOLIDINEDIONE · 2,5-Oxazolidinedione 98% · 1,3-oxazolidine-2,5-dione · GLYCINE-N-CARBOXYANHYDRIDE · N-Carboxyglycine anhydride

https://huagongshe.com/de/chemical/75136

Identifikatoren & physikalische Daten

CAS No.	2185-00-4
Summenformel	C3H3NO3
Durchschnittliche Molmasse	101,06 g/mol
Monoisotopische Masse	101,01129296 g/mol
SMILES	O=C1CNC(=O)O1
InChIKey	ARAFEULRMHFMDE-UHFFFAOYSA-N
PubChem CID	75136
EC No.	218-570-6
DTXSID	DTXSID80176257
Lokaler Name	Oxazolidin-2,5-dion

Chemische & physikalische Eigenschaften

XLogP	-0,5
Polarare Oberfläche (TPSA)	55,4
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	0
Schwere Atome	7
Formalladung	0
Komplexität	119
Schmelzpunkt	120 °C (dec.) (lit.)
Dichte	1.469±0.06 g/cm3(Predicted)
Lagerbedingungen	-20°C
pKa (Säurekonstante)	9.32±0.20(Predicted)
Aggregatzustand	solid
InChI	1S/C3H3NO3/c5-2-1-4-3(6)7-2/h1H2,(H,4,6)
InChIKey	ARAFEULRMHFMDE-UHFFFAOYSA-N
SMILES	O=C1CNC(=O)O1
CAS Datenbank	2185-00-4

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.DangerH315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (50%)
Wassergefährdungsklasse (WGK)	3
Lagerklasse	11 - Combustible Solids

Herstellung & Synthese

synthetische

Into a suspension of finely ground glycine (15 g) in dry dioxane (750 mL), phosgene was introduced in a fine stream at 45–50 °C with efficient agitation. A clear solution was obtained after 5 h. This solution was filtered to remove unreacted glycine (1.7 g), and the dioxane was then removed under reduced pressure at a temperature below 40 °C with protection from moisture. The residue was treated with dry diethyl ether (100 mL), and the crystals of 2,5-oxazolidinedione were collected by filtration and dried over P2O5 in a vacuum desiccator. The crude product so obtained, 16 g (89%), was recrystallized from ethyl acetate/petroleum ether to yield 14.3 g (77.2%) of pure material, which showed no melting point because of polymerization.