4-methoxy-N-(2,2,2-trichloro-1-{[3-(trifluoromethyl)phenyl]amino}ethyl)benzamide
Basic information
- CAS
302934-85-6- Standard SMILES
COc1ccc(C(=O)NC(Nc2cccc(C(F)(F)F)c2)C(Cl)(Cl)Cl)cc1- InChIKey
GSLCJVJPKZVGLQ-UHFFFAOYSA-N- Molecular formula
- C17H14Cl3F3N2O2
- Average molar mass
- 441.7 g/mol
- Monoisotopic mass
- 440.007295
Names & identifiers
- Preferred name
- 4-methoxy-N-(2,2,2-trichloro-1-{[3-(trifluoromethyl)phenyl]amino}ethyl)benzamide
- IUPAC
- 4-methoxy-N-[2,2,2-trichloro-1-[3-(trifluoromethyl)anilino]ethyl]benzamide
- English name
- 4-methoxy-N-(2,2,2-trichloro-1-((3-(trifluoromethyl)phenyl)amino)ethyl)benzamide
- Molecular formula
- C17H14Cl3F3N2O2
- Molecular weight
- 441.66
Names & synonyms
302934-85-64-methoxy-N-(2,2,2-trichloro-1-{[3-(trifluoromethyl)phenyl]amino}ethyl)benzamide4-methoxy-N-{2,2,2-trichloro-1-[3-(trifluoromethyl)anilino]ethyl}benzamide4-methoxy-N-[2,2,2-trichloro-1-[3-(trifluoromethyl)anilino]ethyl]benzamide4-methoxy-N-(2,2,2-trichloro-1-((3-(trifluoromethyl)phenyl)amino)ethyl)benzamideSTK862038AKOS002161281AKOS016288709AG-690/09865039F0095-24004-METHOXY-N-(2,2,2-TRICHLORO-1-(3-(TRIFLUOROMETHYL)ANILINO)ETHYL)BENZAMIDEBenzamide, 4-methoxy-N-[2,2,2-trichloro-1-[[3-(trifluoromethyl)phenyl]amino]ethyl]-
Database identifiers
- CAS
302934-85-6- PubChem CID
- 4098161
- EC Number
- 140-020-8
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 495
Physicochemical properties
- Boiling point
- 544.3 · 544.3±50.0 °C(Predicted)
- Density
- 1.461 · 1.461±0.06 g/cm3(Predicted)
- pka
- 12.23 · 12.23±0.46(Predicted)
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, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, 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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