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Basic information
- CAS
23851-84-5- Standard SMILES
CCOC(=O)c1cc(=O)c2cccc(C(F)(F)F)c2[nH]1- InChIKey
POYCJJNDSYSSLI-UHFFFAOYSA-N- Molecular formula
- C13H10F3NO3
- Average molar mass
- 285.22 g/mol
- Monoisotopic mass
- 285.06127767
Names & identifiers
- Preferred name
- 3-Quinolinecarboxylic acid, 4-hydroxy-8-(trifluoromethyl)-, ethyl ester
- IUPAC
- ethyl 4-oxo-8-(trifluoromethyl)-1H-quinoline-2-carboxylate
- English name
- 4-Hydroxy-8-(trifluoromethyl)quinoline-3-carboxylic ethyl ester
- Molecular formula
- C13H10F3NO3
- Molecular weight
- 285.22
Names & synonyms
RefChem:505277245-914-223851-84-53-Quinolinecarboxylic acid, 4-hydroxy-8-(trifluoromethyl)-, ethyl esterethyl 4-oxo-8-(trifluoromethyl)-1,4-dihydroquinoline-2-carboxylateEthyl 4-hydroxy-8-(trifluoromethyl)quinoline-2-carboxylateEINECS 245-914-2BRN 0490314BUTTPARK 10\01-31AKOS BBS-000027774-Hydroxy-8-(trifluoromethyl)quinoline-3-ethyl 4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxylate
Show more names
ETHYL 4-HYDROXY-8-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLATEETHYL 4-HYDROXY-8-(TRIFLUOROMETHYL)-3-QUINOLINECARBOXYLATE2-ethyl-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxylate4-Hydroxy-8-(trifluoromethyl)quinoline-3-carboxylic ethyl ester4-hydroxy-8-(trifluoromethyl)-3-quinolinecarboxylicaciethylester4-hydroxy-8-(trifluoromethyl)-3-quinolinecarboxylicacidethylester
Database identifiers
- CAS
23851-84-5- PubChem CID
- 90284
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 445
Physicochemical properties
- Melting point
- 216 °C · 216 °C(Solv: ethanol (64-17-5))
- Boiling point
- 343.5 · 343.5±37.0 °C(Predicted)
- Density
- 1.404 · 1.404±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 1.84 · 1.84±0.50(Predicted)
- Appearance
- White to off-white Solid
- CAS DataBase Reference
- 23851 · 23851-84-5(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2933499090 · 2933499090
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
- 2933499090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers48 total
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Related reactions
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Compound notes
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