Basic information
- CAS
938378-17-7- Standard SMILES
O=C(O)c1cc2cccc(C(F)(F)F)c2[nH]c1=O- InChIKey
JHJVBJAZKDJVGP-UHFFFAOYSA-N- Molecular formula
- C11H6F3NO3
- Average molar mass
- 257.16 g/mol
- Monoisotopic mass
- 257.02997754
Names & identifiers
- Preferred name
- 2-Oxo-8-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid
- IUPAC
- 2-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxylic acid
Names & synonyms
2-oxo-8-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid938378-17-7RefChem:477758857-819-92-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxylic acidJHJVBJAZKDJVGP-UHFFFAOYSA-NAKOS024152264NCGC01445831-01EN300-371075Z17392528382-oxo-8-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylicacid
Database identifiers
- CAS
938378-17-7- PubChem CID
- 22690293
- EC Number
- 857-819-9
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 416
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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