Name: 3-(2-HYDROXYETHYL)-2-OXAZOLIDINONE
SKU: 3356-88-5

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Basic Information

Molecular Structure:
CAS No.:	3356-88-5
Name:	3-(2-HYDROXYETHYL)-2-OXAZOLIDINONE
Article Data:	5

Formula:	C₅H₉NO₃
Molecular Weight:	131.131
Synonyms:	3-(2-Hydroxyethyl)-2-oxazolidinone;
Density:	1.28 g/cm³
Boiling Point:	379.6 °C at 760 mmHg
Flash Point:	183.4 °C
Hazard Symbols:	Xi
Risk Codes:	36
Safety:	26
PSA:	49.77000
LogP:	-0.63120

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Specification

The 2-Oxazolidinone,3-(2-hydroxyethyl)-, with the CAS registry number of 3356-88-5, is also known as 3-(2-Hydroxyethyl)-2-oxazolidinone. Its molecular formula is C₅H₉NO₃ and molecular weight is 131.13. What's more, its IUPAC name is 3-(2-Hydroxyethyl)-1,3-oxazolidin-2-one.

Physical properties about the 2-Oxazolidinone,3-(2-hydroxyethyl)- are: (1)ACD/LogP: -1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.02; (4)ACD/LogD (pH 7.4): -1.02; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.68; (8)ACD/KOC (pH 7.4): 6.68; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 29.99 cm³; (15)Molar Volume: 102.3 cm³; (16)Surface Tension: 47.9 dyne/cm; (17)Density: 1.28 g/cm³; (18)Flash Point: 183.4 °C; (19)Enthalpy of Vaporization: 72.6 kJ/mol; (20)Boiling Point: 379.6 °C at 760 mmHg; (21)Vapour Pressure: 2.55E-07 mmHg at 25 °C.

Preparation: this chemical can be obtained by 1-(2-Chloroethyl)-3,3-bis(2-hydroxyethyl)-1-nitrosourea. The reaction needs reagent KH₂PO₄. The reaction time is 30 min with reaction temperature of 5 °C. The yield is about 86 %.

The 2-Oxazolidinone,3-(2-hydroxyethyl)- can be obtained by 1-(2-Chloroethyl)-3,3-bis(2-hydroxyethyl)-1-nitrosourea

Uses: it is used to produce other chemicals. For example, it is used to produce 3-(2-Chloro-ethyl)-oxazolidin-2-one. This reaction needs reagent Pyridine. Meanwhile, it needs solvent Benzene. The reaction time is 6 h with reaction temperature of 30 °C. The yield is about 84.2 %.

The 2-Oxazolidinone,3-(2-hydroxyethyl)- can react with to get 3-(2-Chloro-ethyl)-oxazolidin-2-one

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1OCCN1CCO
(2) InChI: InChI=1/C5H9NO3/c7-3-1-6-2-4-9-5(6)8/h7H,1-4H2
(3) InChIKey: GOXNUYXRIQJIEF-UHFFFAOYAZ

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	750mg/kg (750mg/kg)		National Technical Information Service. Vol. AD691-490,