≥95% 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 | C1=NC(=C(C(=N1)NN)Br)C(F)(F)F |
|---|---|
| IUPAC Name | [5-bromo-6-(trifluoromethyl)pyrimidin-4-yl]hydrazine |
| InChIKey | CCEQLSMQKDVMQR-UHFFFAOYSA-N |
| INCHI | 1S/C5H4BrF3N4/c6-2-3(5(7,8)9)11-1-12-4(2)13-10/h1H,10H2,(H,11,12,13) |
| Isomeric SMILES | C1=NC(=C(C(=N1)NN)Br)C(F)(F)F |
| Alternate CAS | 785777-95-9 |
| PubChem CID | 11253886 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 | Halopyrimidines |
| Alternative Parents | Imidolactams Aryl bromides Heteroaromatic compounds Azacyclic compounds Organofluorides Organobromides Hydrocarbon derivatives Hydrazines and derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Halopyrimidine - Aryl bromide - Aryl halide - Imidolactam - Heteroaromatic compound - Azacycle - Organofluoride - Organobromide - Organohalogen compound - Hydrazine derivative - Alkyl fluoride - Hydrocarbon derivative - Organic nitrogen compound - Alkyl halide - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | Not available |
| Molecular Weight | 257.010 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| Exact Mass | 255.957 Da |
| Monoisotopic Mass | 255.957 Da |
| Topological Polar Surface Area | 63.800 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 176.000 |
| 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 |
