≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | CC1=NN(C(=C1)C(F)(F)F)C2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-(4-nitrophenyl)-1,3-thiazole |
| InChIKey | LQPXWLCQQFVLHY-UHFFFAOYSA-N |
| INCHI | 1S/C14H9F3N4O2S/c1-8-6-12(14(15,16)17)20(19-8)13-18-11(7-24-13)9-2-4-10(5-3-9)21(22)23/h2-7H,1H3 |
| Isomeric SMILES | CC1=NN(C(=C1)C(F)(F)F)C2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-] |
| PubChem CID | 1491792 |
| Molecular Weight | 354.31 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Nitrobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzenes |
| Alternative Parents | Nitroaromatic compounds 2,4-disubstituted thiazoles Pyrazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Nitrobenzene - Nitroaromatic compound - 2,4-disubstituted 1,3-thiazole - Azole - Pyrazole - Thiazole - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organopnictogen compound - Organonitrogen compound - Organofluoride - Alkyl fluoride - Organohalogen compound - Organic oxygen compound - Alkyl halide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group. |
| External Descriptors | Not available |
| Molecular Weight | 354.310 g/mol |
|---|---|
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 2 |
| Exact Mass | 354.04 Da |
| Monoisotopic Mass | 354.04 Da |
| Topological Polar Surface Area | 105.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 468.000 |
| 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 |
![2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-4-(4-nitrophenyl)-1,3-thiazole - ≥90% , CAS No.955966-59-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)