Azlactone
Basic information
- CAS
1199-01-5- Standard SMILES
O=C1CN=C(c2ccccc2)O1- InChIKey
QKCKCXFWENOGER-UHFFFAOYSA-N- Molecular formula
- C9H7NO2
- Average molar mass
- 161.16 g/mol
- Monoisotopic mass
- 161.04767846
Overview
2-phenyloxazol-5(4H)-one is a 1,3-oxazole having a phenyl substituent at the 2-position and an oxo group at the 5-position. Note that phenyloxazolone is commonly used as a synonym for 4-(ethoxymethylene)-2-phenyloxazol-5-one (PhOx).
Names & identifiers
- Preferred name
- Azlactone
- IUPAC
- 2-phenyl-4H-1,3-oxazol-5-one
- English name
- 2-Phenyl-5-oxazolone
- Molecular formula
- C9H7NO2
- Molecular weight
- 161.16
Names & synonyms
2-Phenyloxazol-5(4H)-one1199-01-55(4H)-Oxazolone, 2-phenyl-2-Phenyloxazolone2-Phenyloxazolin-5-one2-phenyl-1,3-oxazol-5(4H)-oneCHEBI:602962-phenyloxazol-5-oneDTXSID0061612AzlactoneRefChem:560587DTXCID7033523
Show more names
2-phenyl-5(4h)-oxazolon2-PHENYL-2-OXAZOLIN-5-ONE2-Phenyl-2-oxazoline-5-one
214-840-22-Phenyl-5-oxazolonePhenyloxazolone2-phenyl-4H-oxazol-5-one2-Phenyl-5(4H)-OxazoloneMFCD000145172-phenyl-4H-1,3-oxazol-5-one2-Oxazolin-5-one, 2-phenyl-
Database identifiers
- CAS
1199-01-5- PubChem CID
- 65073
- DTXSID
DTXSID0061612- ChEBI
CHEBI:60296- UNII
- 2ZE8X9UTS8
- EC Number
- 214-840-2
- Nikkaji
- J217.040J
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 217
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
Physical DescriptionOrange powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 89 · 89-92°C
- Boiling point
- 248.1 · 248.1±23.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- Soluble in most common organic solvents.
- pka
- 2.56 · 2.56±0.20(Predicted)
- Appearance
- Off-white to light yellow Solid
- Sensitive
- Air Sensitive
- BRN
- 128465 · 128465
- EPA Substance Registry System
- 5 · 5(4H)-Oxazolone, 2-phenyl- (1199-01-5)
- 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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- safety_code
- 22-24/25
- Hazard statements
- H302-H312-H315-H318-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information5(4H)-Oxazolone, 2-phenyl-: INACTIVE
Applications
Uses2-Phenyl-5-oxazolone is a reagent used as a masked glycine equivalent and for the formation of heterocyclic structures, it can be used to produce 4-benzylidene-2-phenyl-4H-oxazol-5-one.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: A 1,3-oxazole having a phenyl substituent at the 2-position and an oxo group at the 5-position. Note that phenyloxazolone is commonly used as a synonym for 4-(ethoxymethylene)-2-phenyloxazol-5-one (PhOx).
Related reactions
22 records
Compound notes
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