Basic information
- CAS
23851-84-5- Standard SMILES
CCOC(=O)c1c[nH]c2c(C(F)(F)F)cccc2c1=O- InChIKey
XSNJFNKOHAUNPO-UHFFFAOYSA-N- Molecular formula
- C13H10F3NO3
- Average molar mass
- 285.22 g/mol
- Monoisotopic mass
- 285.06127767
Names & identifiers
- Preferred name
- Ethyl 4-hydroxy-8-(trifluoromethyl)quinoline-3-carboxylate
- IUPAC
- ethyl 4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxylate
- English name
- 4-Hydroxy-8-(trifluoromethyl)quinoline-3-carboxylic ethyl ester
- Molecular formula
- C13H10F3NO3
- Molecular weight
- 285.22
Names & synonyms
Ethyl 4-hydroxy-8-(trifluoromethyl)quinoline-3-carboxylateEthyl 4-hydroxy-8-(trifluoromethyl)-3-quinolinecarboxylateEthyl 4-hydroxy-8-trifluoromethylquinoline-3-carboxylate4-Hydroxy-8-(trifluoromethyl)quinoline-3-carboxylic ethyl ester31601-87-3ethyl 4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxylateethyl 4-oxo-8-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylateMFCD001733874-Hydroxy-8-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester3-Quinolinecarboxylic acid, 1,4-dihydro-4-oxo-8-(trifluoromethyl)-, ethyl esterNSC103777MLS000716352
Show more names
BUTTPARK 10\01-31AKOS BBS-000027774-Hydroxy-8-(trifluoromethyl)quinoline-3-2-ethyl-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxylate4-hydroxy-8-(trifluoromethyl)-3-quinolinecarboxylicaciethylester4-hydroxy-8-(trifluoromethyl)-3-quinolinecarboxylicacidethylester
CHEMBL68141SCHEMBL1125003SCHEMBL4742144DTXSID80946654HMS2634J23HMS3359C02ETHYL 8-(TRIFLUOROMETHYL)-4-HYDROXYQUINOLINE-3-CARBOXYLATESBB015016
Properties
Computed structural properties
- 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
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
Shangchem Co., Ltd.+86-21-68182121
skychemical Co.Ltd021-20958197 20965099 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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