Basic information
- CAS
79660-46-1- Standard SMILES
CCOC(=O)c1c[nH]c2c(F)c(F)c(F)cc2c1=O- InChIKey
ONQDAESGZUODFI-UHFFFAOYSA-N- Molecular formula
- C12H8F3NO3
- Average molar mass
- 271.194 g/mol
- Monoisotopic mass
- 271.04562778
Names & identifiers
- Preferred name
- 3-Quinolinecarboxylic acid, 1,4-dihydro-4-oxo-6,7,8-trifluoro-, ethyl ester
- IUPAC
- Ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
- English name
- Ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
- Molecular formula
- C12H8F3NO3
- Molecular weight
- 271.19
Names & synonyms
dm-7SBB012483BRN 48146606,7,8-trifLinecarboxyLZINC00403393521647_ALDRICHCycliccompoundofLomefloxacinuoro-1,4-dihydro-4-oxo-3-quinoL3-ethoxycarbonyl-6,7,8-trifluoro-4-quinolinolate
Database identifiers
- CAS
79660-46-1- PubChem CID
- 2733972
- DTXSID
DTXSID90229824- EC Number
- 621-582-8
- Nikkaji
- J135.073K、J2.421.718C
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 426
Physicochemical properties
- Melting point
- 275 °C · 275 °C (dec.) (lit.)
- Boiling point
- 344.3 · 344.3±42.0 °C(Predicted)
- Density
- 1.451 · 1.451
- storage temp.
- Sealed in dry,Room Temperature
- pka
- -0.92 · -0.92±0.70(Predicted)
- Appearance
- Off-white to light brown Solid
- InChI
- 1S/C12H8F3NO3/c1-2-19-12(18)6-4-16-10-5(11(6)17)3-7(13)8(14)9(10)15/h3-4H,2H2,1H3,(H,16,17)
- InChIKey
- ONQDAESGZUODFI-UHFFFAOYSA-N
- SMILES
- CCOC(=O)C1=CNc2c(F)c(F)c(F)cc2C1=O
- CAS DataBase Reference
- 79660 · 79660-46-1(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
Safety & regulation
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 2
- rtecs
- VB2009830
- hs_code
- 29334910
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Applications
UsesEthyl 6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate is also referred to as 3-ethoxycarbonyl-6,7,8-trifluoro-1,4-hydro-4-oxoquinoline.
General DescriptionEthyl 6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate is also referred to as 3-ethoxycarbonyl-6,7,8-trifluoro-1,4-hydro-4-oxoquinoline.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [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]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Related reactions
13 records
Compound notes
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