2-[4-(Trifluoromethoxy)phenyl]thiazole-5-carboxylic Acid
Basic information
- CAS
886370-20-3- Standard SMILES
O=C(O)c1cnc(-c2ccc(OC(F)(F)F)cc2)s1- InChIKey
UULXHMJUWYLKIY-UHFFFAOYSA-N- Molecular formula
- C11H6F3NO3S
- Average molar mass
- 289.23 g/mol
- Monoisotopic mass
- 289.00204871
Names & identifiers
- Preferred name
- 2-[4-(Trifluoromethoxy)phenyl]thiazole-5-carboxylic Acid
- IUPAC
- 2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxylic acid
- English name
- 2-(4-Trifluoromethoxy-phenyl)-thiazole-5-carboxylic acid
- Molecular formula
- C11H6F3NO3S
- Molecular weight
- 289.23
Names & synonyms
2-[4-(Trifluoromethoxy)phenyl]thiazole-5-carboxylic Acid886370-20-3MFCD073753342-[4-(TRIFLUOROMETHOXY)PHENYL]-1,3-THIAZOLE-5-CARBOXYLIC ACID2-(4-TRIFLUOROMETHOXY-PHENYL)-THIAZOLE-5-CARBOXYLIC ACID2-(4-(trifluoromethoxy)phenyl)thiazole-5-carboxylic acid2-[4-(Trifluoromethoxy)phenyl]thiazole-5-carboxylicAcid2-[4-(Trifluoromethoxy)phenyl]-5-thiazolecarboxylic acidDTXSID501200379AC1405AKOS009332846AB41719
Show more names
CS-12020SY035822DB-216886F8224595-Thiazolecarboxylic acid, 2-[4-(trifluoromethoxy)phenyl
Database identifiers
- CAS
886370-20-3- PubChem CID
- 43333574
- DTXSID
DTXSID501200379
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 332
Physicochemical properties
- Boiling point
- 400.9 · 400.9±55.0 °C(Predicted)
- Density
- 1.519 · 1.519±0.06 g/cm3(Predicted)
- pka
- 2.63 · 2.63±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- HS Code
- 2934100090 · 2934100090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2934100090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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