1,3-Oxazolidine

HCID 536683CAS 504-76-7
Substructure searchFind similar structures

Basic information

Standard SMILES
C1COCN1
InChIKey
WYNCHZVNFNFDNH-UHFFFAOYSA-N
Molecular formula
C3H7NO
Average molar mass
73.09 g/mol
Monoisotopic mass
73.05276384

Overview

1,3-oxazolidine is an oxazolidine.

Names & identifiers

Preferred name
1,3-Oxazolidine
IUPAC
1,3-oxazolidine
English name
1,3-Oxazolidine
Molecular formula
C3H7NO
Molecular weight
73.09

Names & synonyms

Oxazolidine1,3-Oxazolidine504-76-713F52UF6MRCHEBI:50310DTXSID50198446RefChem:168862CHEBI:38330DTXCID80120937610-533-6MFCD16251479Bioban CS-1246
Show more names
BIOBANCS1246Tetrahydrooxazole1-Oxa-3-azacyclopentaneOxazolidine (Technical Grade) DISCONTINUED
UNII-13F52UF6MREPA Pesticide Chemical Code 1289091,3-Oxazolidine #SCHEMBL4980SCHEMBL22251SCHEMBL22743SCHEMBL22779SCHEMBL23024

Database identifiers

CAS
504-76-7
PubChem CID
536683
DTXSID
DTXSID50198446
ChEMBL
CHEMBL4297314
ChEBI
CHEBI:50310
UNII
13F52UF6MR
EC Number
610-533-6
Nikkaji
J327.243E

Properties

Computed structural properties

XLogP
-0.5
Topological polar surface area
21.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
5

Experimental & physicochemical properties

Chemical ClassesOther Uses -> Biocides/Disinfectants

Physicochemical properties

Melting point
90 °C · 90 °C(Solv: benzene (71-43-2))
Boiling point
200 °C · 200 °C(Press: 20 Torr)
Density
1.063 g/cm3 · 1.063 g/cm3
storage temp.
-86 °C · -86°C Freezer
solubility
Acetone
pka
8.28 · 8.28±0.20(Predicted)

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 97.2% (104 of 107) of all reports.

Not Classified

Aggregated GHS information provided per 107 reports by companies from 4 notifications to the ECHA C&L Inventory.

Hazard information

Hazards SummaryAllergic contact dermatitis reported in machinists; [Kanerva, p. 1758]
Hazard Classes and CategoriesNot Classified

Toxicology

Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.

Safety data

Signal word
Danger
Symbol(GHS)
GHS05
Hazard statements
H314
Precautionary statements
P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501

Chemistry & industry

Uses & manufacturing

Uses · 2 items

Used as a biocide in metalworking fluids; [Kanerva, p. 1758]

Metal Machining [Category: Heat or Machine]

Applications

UsesOxazolidine derivatives with potential antitumor activity.

Upstream & downstream products

Suppliers22 total

Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
SelectLab Chemicals GmbH+49-(0)2383-919350 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]

Additional notes

DefinitionChEBI: 1,3-oxazolidine is an oxazolidine.

Related reactions

38 records
New reaction record

Linked notes

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