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Basic Description
| Synonyms | N-Phenyl-3-(trifluoromethyl)aniline | 101-23-5 | m-Trifluoromethyldiphenylamine | Benzenamine, N-phenyl-3-(trifluoromethyl)- | 3-(Trifluoromethyl)diphenylamine | N-Phenyl-alpha,alpha,alpha-trifluoro-m-toluidine | Q5XF8B8FGT | 3-(Trifluoromethyl)-N-phenylaniline | NSC-504 |
|---|---|
| Specifications & Purity | ≥95% |
| Storage Temp | Store at 2-8°C |
| Shipped In |
Wet ice This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass Trifluoromethylbenzenes
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Trifluoromethylbenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Trifluoromethylbenzenes |
| Alternative Parents | Aniline and substituted anilines Secondary amines Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Aniline or substituted anilines - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 504751389 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504751389 |
| IUPAC Name | N-phenyl-3-(trifluoromethyl)aniline |
| INCHI | InChI=1S/C13H10F3N/c14-13(15,16)10-5-4-8-12(9-10)17-11-6-2-1-3-7-11/h1-9,17H |
| InChIKey | WJCRAVDPIMWFPG-UHFFFAOYSA-N |
| Smiles | C1=CC=C(C=C1)NC2=CC=CC(=C2)C(F)(F)F |
| Isomeric SMILES | C1=CC=C(C=C1)NC2=CC=CC(=C2)C(F)(F)F |
| Molecular Weight | 237.22 |
| Reaxy-Rn | 1214959 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1214959&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2307328 |
Certificate of Analysis | Jul 24, 2023 | N165399 |
| H2307426 |
Certificate of Analysis | Jul 24, 2023 | N165399 |
| H2307330 |
Certificate of Analysis | Jul 24, 2023 | N165399 |
| H2307338 |
Certificate of Analysis | Jul 24, 2023 | N165399 |
| H2307315 |
Certificate of Analysis | Jul 24, 2023 | N165399 |
| H2307319 |
Certificate of Analysis | Jul 24, 2023 | N165399 |
Chemical and Physical Properties
| Molecular Weight | 237.220 g/mol |
|---|---|
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 237.077 Da |
| Monoisotopic Mass | 237.077 Da |
| Topological Polar Surface Area | 12.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 233.000 |
| 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 |
Solution Calculators
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