CAS No.2185-00-4,2,5-Oxazolidinedione Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2185-00-4
Name:	2,5-Oxazolidinedione
Article Data:	34

Formula:	C₃H₃NO₃
Molecular Weight:	101.062
Synonyms:	GlycineN-carboxy anhydride;Glycine, N-carboxy-, cyclic anhydride;Glycine-N-carboxyacid anhydride;N-Carboxyglycine anhydride;
EINECS:	218-570-6
Density:	1.469 g/cm³
Melting Point:	120 °C (dec.)(lit.)
Appearance:	WHITE TO OFF-WHITE POWDER, CRYSTALS CRYSTALLINE POWDER AND/OR CHUNKS
PSA:	55.40000
LogP:	-0.41840

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Specification

The 2,5-Oxazolidinedione, with CAS registry number 2185-00-4, belongs to the following product categories: (1)Pharmacetical; (2)Anhydride Monomers; (3)Monomers; (4)Polymer Science. It has the systematic name of 1,3-oxazolidine-2,5-dione. This chemical should be stored at the temperature of -15°C. What's more, its EINECS is 218-570-6.

Physical properties of 2,5-Oxazolidinedione: (1)ACD/LogP: -0.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.89; (4)ACD/LogD (pH 7.4): -0.89; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.84; (8)ACD/KOC (pH 7.4): 7.75; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.465; (14)Molar Refractivity: 19.04 cm³; (15)Molar Volume: 68.7 cm³; (16)Polarizability: 7.55×10^-24cm³; (17)Surface Tension: 46.2 dyne/cm; (18)Density: 1.469 g/cm³.

Preparation: this chemical can be prepared by N-tert-butoxycarbonyl-glycine. This reaction will need reagents bis(trichloromethyl)carbonate, Et₃N and solvent ethyl acetate. The yield is about 83%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OC(=O)NC1
(2)InChI: InChI=1/C3H3NO3/c5-2-1-4-3(6)7-2/h1H2,(H,4,6)
(3)InChIKey: ARAFEULRMHFMDE-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C3H3NO3/c5-2-1-4-3(6)7-2/h1H2,(H,4,6)
(5)Std. InChIKey: ARAFEULRMHFMDE-UHFFFAOYSA-N