Basic information
- CAS
887408-23-3- Standard SMILES
O=C(O)c1cnoc1-c1ccccc1F- InChIKey
ZYGWUDJUJQNWHC-UHFFFAOYSA-N- Molecular formula
- C10H6FNO3
- Average molar mass
- 207.16 g/mol
- Monoisotopic mass
- 207.03317122
Names & identifiers
- Preferred name
- 5-(2-Fluorophenyl)-1,2-oxazole-4-carboxylic acid
- IUPAC
- 5-(2-fluorophenyl)-1,2-oxazole-4-carboxylic acid
- English name
- 5-(2-fluorophenyl)-1,2-oxazole-4-carboxylic Acid
- Molecular formula
- C10H6FNO3
- Molecular weight
- 207.16
Names & synonyms
5-(2-fluorophenyl)-1,2-oxazole-4-carboxylic acid887408-23-3DTXSID50628516RefChem:299443DTXCID80579269830-844-25-(2-fluorophenyl)isoxazole-4-carboxylic acidSCHEMBL3171621SCHEMBL30395912ZYGWUDJUJQNWHC-UHFFFAOYSA-NMKB40823MFCD07357476
Show more names
4-Isoxazolecarboxylic acid, 5-(2-fluorophenyl)-
AKOS017560516SY164277CS-0238362EN300-1937295-(2-fluorophenyl)-1,2-oxazole-4-carboxylicacidZ1474207688
Database identifiers
- CAS
887408-23-3- PubChem CID
- 22831710
- DTXSID
DTXSID50628516- EC Number
- 830-844-2
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Boiling point
- 361.8 · 361.8±27.0 °C(Predicted)
- Density
- 1.404 · 1.404±0.06 g/cm3(Predicted)
- pka
- 2.75 · 2.75±0.36(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H302-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H302-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers1 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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