≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice 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 | CC(C)(C)OC(=O)NCCS(=O)(=O)Cl |
|---|---|
| InChIKey | PCEAZBVTZGTIEC-UHFFFAOYSA-N |
| INCHI | 1S/C7H14ClNO4S/c1-7(2,3)13-6(10)9-4-5-14(8,11)12/h4-5H2,1-3H3,(H,9,10) |
| Isomeric SMILES | CC(C)(C)OC(=O)NCCS(=O)(=O)Cl |
| UN Number | 2928 |
| Molecular Weight | 243.7084 |
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 | Organohalogen compounds |
| Class | Sulfonyl halides |
| Subclass | Sulfonyl chlorides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Sulfonyl chlorides |
| Alternative Parents | Sulfonyls Organosulfonic acids and derivatives Carbamate esters Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Carbamic acid ester - Sulfonyl - Sulfonyl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as sulfonyl chlorides. These are compounds containing a sulfonyl (R-S(=O)2-R') functional group singly bonded to a chlorine atom. |
| External Descriptors | Not available |
| Boil Point(°C) | 337.4±25.0°C(Predicted) |
|---|---|
| Molecular Weight | 243.710 g/mol |
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 243.033 Da |
| Monoisotopic Mass | 243.033 Da |
| Topological Polar Surface Area | 80.900 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 288.000 |
| 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 |
