≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CN=C(N=C1C(F)(F)F)N2C=C(C=N2)S(=O)(=O)Cl |
|---|---|
| IUPAC Name | 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-sulfonyl chloride |
| InChIKey | SADUDBJMXGGXDE-UHFFFAOYSA-N |
| INCHI | 1S/C8H4ClF3N4O2S/c9-19(17,18)5-3-14-16(4-5)7-13-2-1-6(15-7)8(10,11)12/h1-4H |
| Isomeric SMILES | C1=CN=C(N=C1C(F)(F)F)N2C=C(C=N2)S(=O)(=O)Cl |
| PubChem CID | 51063957 |
| Molecular Weight | 312.66 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrimidines and pyrimidine derivatives |
| Alternative Parents | Sulfonyls Sulfonyl chlorides Pyrazoles Organosulfonic acids and derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrimidine - Azole - Pyrazole - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Sulfonyl - Sulfonyl halide - Sulfonyl chloride - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrimidines and pyrimidine derivatives. These are compounds containing a pyrimidne ring, which is a six-member aromatic heterocycle which consists of two nitrogen atoms (at positions 1 and 3) and four carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 312.660 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 2 |
| Exact Mass | 311.97 Da |
| Monoisotopic Mass | 311.97 Da |
| Topological Polar Surface Area | 86.100 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 427.000 |
| 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 |
![1-[4-(Trifluoromethyl)pyrimidin-2-yl]-1H-pyrazole-4-sulfonyl chloride - ≥97% CAS No(1215564-15-0) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/T/9/T948517.jpg)