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Basic Description
| Synonyms | 4-(trifluoromethylsulfonyl)benzenamine | Noretisterona | DTXSID6040747 | 4-[(Trifluoromethyl)sulfonyl]phenylamine | 4-[(Trifluoromethyl)sulphonyl]aniline | F0345-0177 | 4-(Trifluoromethylsulfonyl)aniline, 95% | A827185 | AKOS001288399 | D-CS | IDI1_019422 |
|---|---|
| Specifications & Purity | ≥95% |
| Storage Temp | Store at 2-8°C,Protected from light |
| Shipped In |
Wet ice This product requires cold chain shipping. Ground and other economy services are not available. |
| Product Description |
Product Describtion: 4-(Trifluoromethylsulfonyl)aniline, also known as p-(trifluoromethylsulfonyl)aniline, is an aniline derivative. Product Application: 4-(Trifluoromethylsulfonyl)aniline may be used in the preparation of 1-azido-4(trifluoromethanesufonyl)benzene. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Aniline and substituted anilines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Sulfonylanilines |
| Alternative Parents | Benzenesulfonyl compounds Sulfones Trihalomethanes Primary amines Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Sulfonylaniline - Benzenesulfonyl group - Sulfone - Sulfonyl - Trihalomethane - Organic oxygen compound - Alkyl fluoride - Halomethane - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Primary amine - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as sulfonylanilines. These are compounds containing an aniline moiety, which is para-substituted by a sulfonyl group. |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 504757065 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504757065 |
| IUPAC Name | 4-(trifluoromethylsulfonyl)aniline |
| INCHI | InChI=1S/C7H6F3NO2S/c8-7(9,10)14(12,13)6-3-1-5(11)2-4-6/h1-4H,11H2 |
| InChIKey | GNVFCXUZQGCXPB-UHFFFAOYSA-N |
| Smiles | C1=CC(=CC=C1N)S(=O)(=O)C(F)(F)F |
| Isomeric SMILES | C1=CC(=CC=C1N)S(=O)(=O)C(F)(F)F |
| WGK Germany | 3 |
| PubChem CID | 136315 |
| Molecular Weight | 225.19 |
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 |
|---|---|---|---|
 F2306736 |
Certificate of Analysis | Apr 28, 2023 | T170495 |
| F2306735 |
Certificate of Analysis | Apr 28, 2023 | T170495 |
| F2306852 |
Certificate of Analysis | Apr 28, 2023 | T170495 |
| F2306740 |
Certificate of Analysis | Apr 28, 2023 | T170495 |
| F2306739 |
Certificate of Analysis | Apr 28, 2023 | T170495 |
| F2306741 |
Certificate of Analysis | Apr 28, 2023 | T170495 |
| F2306846 |
Certificate of Analysis | Apr 28, 2023 | T170495 |
| F2306737 |
Certificate of Analysis | Apr 28, 2023 | T170495 |
Chemical and Physical Properties
| Refractive Index | n20D 1.50 (Predicted) |
|---|---|
| Boil Point(°C) | ~317.8° C at 760 mmHg (Predicted) |
| Melt Point(°C) | 96° C (lit.) |
| Molecular Weight | 225.190 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 225.007 Da |
| Monoisotopic Mass | 225.007 Da |
| Topological Polar Surface Area | 68.500 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 285.000 |
| 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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