Basic information
- CAS
51776-97-7- Standard SMILES
O=C(O)c1c[nH]c2cc(C(F)(F)F)ccc2c1=O- InChIKey
BIRIVPOTERXIOW-UHFFFAOYSA-N- Molecular formula
- C11H6F3NO3
- Average molar mass
- 257.16 g/mol
- Monoisotopic mass
- 257.02997754
Names & identifiers
- Preferred name
- 4-Hydroxy-7-trifluoromethylquinoline-3-carboxylic acid
- IUPAC
- 4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid
- English name
- 1,4-dihydro-4-oxo-7-(trifluoromethyl)quinoline-3-carboxylic acid
- Molecular formula
- C11H6F3NO3
- Molecular weight
- 257.17
Names & synonyms
4-hydroxy-7-(trifluoromethyl)-3-quinolinecarboxylic acid4-Hydroxy-7-trifluoromethylquinoline-3-carboxylic acidRefChem:5239274Hydroxy7trifluoromethyl3quinolinecarboxylic acid4Hydroxy7(trifluoromethyl)quinoline3carboxylic acid3Quinolinecarboxylic acid, 4hydroxy7(trifluoromethyl)209-377-8574-92-54-Hydroxy-7-(trifluoromethyl)quinoline-3-carboxylic acid51776-97-74-Hydroxy-7-trifluoromethyl-3-quinolinecarboxylic acid4-oxo-7-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylic acid
Show more names
1,4-Dihydro-4-oxo-7-(trifluoromethyl)-3-quinolinecarboxylic acid3-Quinolinecarboxylic acid, 1,4-dihydro-4-oxo-7-(trifluoromethyl)-
4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acidMFCD000067711,4-Dihydro-4-oxo-7-(trifluoromethyl)quinoline-3-carboxylic acid4-Hydroxy-7-(trifluoromethyl)-quinoline-3-carboxylic acid4-Hydroxy-7-(trifluoromethyl)-3-quinoline-carboxylic acidBRN 0249406EINECS 209-377-8EINECS 257-414-1
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 416
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Quinolines
Physical DescriptionOff-white powder; [Sigma-Aldrich MSDS]
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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryA skin and strong eye irritant; Harmful by ingestion; [Sigma-Aldrich MSDS] See Quinoline.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers31 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
上海鑫凯化学科技有限公司021-58930698 15921516558 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
衢州爱美康生物科技有限公司0570-3081766 18357083060 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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