≥96% 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.
Description
Reactant for oxidative C-H amination reactionsReagent for Rh-catalyzed urea formation.Reagent for cyclic urea synthesis.
| Canonical Smiles | C(C(Cl)(Cl)Cl)OS(=O)(=O)NC(=O)N |
|---|---|
| IUPAC Name | 2,2,2-trichloroethyl N-carbamoylsulfamate |
| InChIKey | QYUJBOJJEGIBCJ-UHFFFAOYSA-N |
| INCHI | 1S/C3H5Cl3N2O4S/c4-3(5,6)1-12-13(10,11)8-2(7)9/h1H2,(H3,7,8,9) |
| Isomeric SMILES | C(C(Cl)(Cl)Cl)OS(=O)(=O)NC(=O)N |
| WGK Germany | 3 |
| Molecular Weight | 271.51 |
| Reaxy-Rn | 10429225 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10429225&ln= |
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 acids and derivatives |
| Class | Organic sulfuric acids and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Organic sulfuric acids and derivatives |
| Alternative Parents | Organic carbonic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Organic sulfuric acid or derivatives - Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as organic sulfuric acids and derivatives. These are organic compounds containing the sulfuric acid or a derivative thereof. |
| External Descriptors | Not available |
| Molecular Weight | 271.500 g/mol |
|---|---|
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 269.904 Da |
| Monoisotopic Mass | 269.904 Da |
| Topological Polar Surface Area | 107.000 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 278.000 |
| 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 |
