Basic information
- CAS
4491-47-8- Standard SMILES
CC(C)=C1N=C(c2ccccc2)OC1=O- InChIKey
FSYXZIPYOMWJOP-UHFFFAOYSA-N- Molecular formula
- C12H11NO2
- Average molar mass
- 201.22 g/mol
- Monoisotopic mass
- 201.07897859
Names & identifiers
- Preferred name
- 4-Isopropylidene-2-phenyl-5(4H)-oxazole
- IUPAC
- 2-phenyl-4-propan-2-ylidene-1,3-oxazol-5-one
- English name
- 4-ISOPROPYLIDENE-2-PHENYL-5(4H)-OXAZOLE
- Molecular formula
- C12H11NO2
- Molecular weight
- 201.22
Names & synonyms
4-ISOPROPYLIDENE-2-PHENYL-5(4H)-OXAZOLERefChem:524340667-733-14491-47-82-phenyl-4-propan-2-ylidene-1,3-oxazol-5-one2-phenyl-4-(propan-2-ylidene)oxazol-5(4H)-one2-Oxazolin-5-one, 4-isopropylidene-2-phenyl-F0920-69602-phenyl-4-(propan-2-ylidene)-1,3-oxazol-5(4H)-oneNSC14968ChemDiv3_013037SCHEMBL11421188
Show more names
5(4H)-Oxazolone, 4-(1-methylethylidene)-2-phenyl-
DTXSID20279978HMS1510A13SMSSF-0062576NSC-14968STL3821552-phenyl-4-isopropylidene-5-oxazoloneAKOS0014159764-isopropylidene-2-phenyl-oxazol-5-one
Database identifiers
- CAS
4491-47-8- PubChem CID
- 225481
- DTXSID
DTXSID20279978- EC Number
- 667-733-1
- Nikkaji
- J1.707.697C
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 332
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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