Basic information
- CAS
85843-25-0- Standard SMILES
O=C(O)/C=C/C(=O)Nc1ccccc1C(F)(F)F- InChIKey
BUHKBTGELFUBBX-AATRIKPKSA-N- Molecular formula
- C11H8F3NO3
- Average molar mass
- 259.18 g/mol
- Monoisotopic mass
- 259.0456276
Names & identifiers
- Preferred name
- 2'-(Trifluoromethyl)maleanilic acid
- IUPAC
- (E)-4-oxo-4-[2-(trifluoromethyl)anilino]but-2-enoic acid
Names & synonyms
85843-25-0RefChem:4395472'-(Trifluoromethyl)maleanilic acid660-047-3306278-78-4(2E)-4-oxo-4-{[2-(trifluoromethyl)phenyl]amino}but-2-enoic acid(E)-4-oxo-4-[2-(trifluoromethyl)anilino]but-2-enoic acid4-Oxo-4-((2-(trifluoromethyl)phenyl)amino)but-2-enoic acid(E)-4-oxo-4-((2-(trifluoromethyl)phenyl)amino)but-2-enoic acid4-oxo-4-[2-(trifluoromethyl)anilino]-2-butenoic acidF0346-3838SDCCGMLS-0065424.P001
Show more names
SMSSF-0047743STK991878AKOS002251347NCGC00331682-01ST50411120AB01325719-023-(2-Trifluoromethyl-phenylcarbamoyl)-acrylic acidSR-01000390976
Database identifiers
- CAS
85843-25-0- PubChem CID
- 699574
- EC Number
- 660-047-3
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 352
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]
P264, P270, P301+P317, P330, and P501 (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.
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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