5-Ethynyloxazole
Basic information
- CAS
872122-50-4- Standard SMILES
C#Cc1cnco1- InChIKey
NWYZPPNCZZBNGE-UHFFFAOYSA-N- Molecular formula
- C5H3NO
- Average molar mass
- 93.08 g/mol
- Monoisotopic mass
- 93.02146372
Names & identifiers
- Preferred name
- 5-Ethynyloxazole
- IUPAC
- 5-ethynyl-1,3-oxazole
- English name
- Oxazole, 5-ethynyl-
- Molecular formula
- C5H3NO
- Molecular weight
- 93.08
Names & synonyms
5-Ethynyloxazole872122-50-45-ethynyl-1,3-oxazoleCHEMHERE CHEM133990oxazol-5-yl acetyleneSCHEMBL209288SCHEMBL1007409SCHEMBL15706939MFCD28657399SY498463CS-0528671EN300-787603
Show more names
Oxazole, 5-ethynyl-
Database identifiers
- CAS
872122-50-4- PubChem CID
- 17875436
- EC Number
- 186-084-0
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 102
Physicochemical properties
- Boiling point
- 140 · 140.0±13.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- pka
- -0.4 · -0.40±0.10(Predicted)
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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