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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)C(F)(F)F |
|---|---|
| IUPAC Name | 3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]benzamide |
| InChIKey | JHPOWEKNNICRTQ-UHFFFAOYSA-N |
| INCHI | 1S/C15H9F6NO/c16-14(17,18)10-4-6-12(7-5-10)22-13(23)9-2-1-3-11(8-9)15(19,20)21/h1-8H,(H,22,23) |
| Isomeric SMILES | C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)C(F)(F)F |
| PubChem CID | 850557 |
| Molecular Weight | 333.24 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Aromatic anilides |
| Direct Parent | Benzanilides |
| Alternative Parents | Trifluoromethylbenzenes Benzamides Benzoyl derivatives Secondary carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzanilide - Trifluoromethylbenzene - Benzamide - Benzoic acid or derivatives - Benzoyl - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Alkyl fluoride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene. |
| External Descriptors | Not available |
| Melt Point(°C) | 141-142° |
|---|---|
| Molecular Weight | 333.230 g/mol |
| XLogP3 | 4.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 333.059 Da |
| Monoisotopic Mass | 333.059 Da |
| Topological Polar Surface Area | 29.100 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 411.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |