Determine the necessary mass, volume, or concentration for preparing a solution.
≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged Ships Ice chest + Ice pads 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.
| Pubchem Sid | 504769725 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504769725 |
| Canonical Smiles | C[Si](C)(C)CCOC(=O)N1C=NC(=N1)[N+](=O)[O-] |
| IUPAC Name | 2-trimethylsilylethyl 3-nitro-1,2,4-triazole-1-carboxylate |
| InChIKey | BHTJYIDOVYPNKR-UHFFFAOYSA-N |
| INCHI | 1S/C8H14N4O4Si/c1-17(2,3)5-4-16-8(13)11-6-9-7(10-11)12(14)15/h6H,4-5H2,1-3H3 |
| Isomeric SMILES | C[Si](C)(C)CCOC(=O)N1C=NC(=N1)[N+](=O)[O-] |
| PubChem CID | 23731110 |
| Molecular Weight | 258.31 |
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 | Organic 1,3-dipolar compounds |
| Class | Allyl-type 1,3-dipolar organic compounds |
| Subclass | Organic nitro compounds |
| Intermediate Tree Nodes | C-nitro compounds |
| Direct Parent | Nitroaromatic compounds |
| Alternative Parents | Triazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic metalloid salts Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Alkylsilanes Organic cations |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Nitroaromatic compound - Azole - 1,2,4-triazole - Heteroaromatic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic metalloid salt - Azacycle - Organic salt - Organic nitrogen compound - Organosilicon compound - Alkylsilane - Organic oxygen compound - Organooxygen compound - Organic metalloid moeity - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group. |
| External Descriptors | Not available |
| Sensitivity | Moisture Sensitive,Heat Sensitive |
|---|---|
| Molecular Weight | 258.310 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 258.078 Da |
| Monoisotopic Mass | 258.078 Da |
| Topological Polar Surface Area | 103.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 301.000 |
| 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 |