1,3-Oxazolidine
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Basic information
- CAS
504-76-7- 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 propertiesFilling in
- XLogP
- -0.5
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 30.1
Experimental & physicochemical properties
Chemical ClassesOther Uses -> Biocides/Disinfectants
Physicochemical properties
- Melting point
- 90 °C · 90 °C (194 °F; 363 K)
- Boiling point
- 200 °C · 200 °C (392 °F; 473 K) 20 torr
- Density
- 1.063 g/mL · 1.063 g/mL
- storage temp.
- -86 °C · -86°C Freezer
- solubility
- Acetone
- pka
- 8.28 · 8.28±0.20(Predicted)
- form
- liquid
- color
- colorless
- Stability
- Temperature Sensitive
- CAS DataBase Reference
- 504 · 504-76-7
- FDA UNII
- 13 F52UF6MR · 13F52UF6MR
- Comptox DTXSID
- 50198446 · DTXSID50198446
- Symbol(GHS)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
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
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: 1,3-oxazolidine is an oxazolidine.
Related reactions
38 records
Compound notes
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