Basic information
- CAS
499766-90-4- Standard SMILES
Cc1nc(C(F)(F)F)c(C(=O)O)o1- InChIKey
MUCHPEWZKWNIEW-UHFFFAOYSA-N- Molecular formula
- C6H4F3NO3
- Average molar mass
- 195.1 g/mol
- Monoisotopic mass
- 195.01432748
Names & identifiers
- Preferred name
- 2-Methyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
- IUPAC
- 2-methyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
Names & synonyms
499766-90-42-methyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acidRefChem:475556817-928-42-Methyl-4-(trifluoromethyl)oxazole-5-carboxylic acid5-Oxazolecarboxylic acid, 2-methyl-4-(trifluoromethyl)-MUCHPEWZKWNIEW-UHFFFAOYSA-NZUA76690AKOS023404044AT29270EN300-1763442-Methyl-4-(trifluoromethyl)oxazole-5-carboxylicacid
Database identifiers
- CAS
499766-90-4- PubChem CID
- 83672945
- EC Number
- 817-928-4
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 218
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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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