≥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)C1=C(C=C(C=C1)C(=O)O)S(=O)(=O)Cl |
|---|---|
| IUPAC Name | 3-chlorosulfonyl-4-propan-2-ylbenzoic acid |
| InChIKey | KSRCCOHUNHPILB-UHFFFAOYSA-N |
| INCHI | 1S/C10H11ClO4S/c1-6(2)8-4-3-7(10(12)13)5-9(8)16(11,14)15/h3-6H,1-2H3,(H,12,13) |
| Isomeric SMILES | CC(C)C1=C(C=C(C=C1)C(=O)O)S(=O)(=O)Cl |
| Molecular Weight | 262.71 |
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 | Lipids and lipid-like molecules |
| Class | Prenol lipids |
| Subclass | Monoterpenoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aromatic monoterpenoids |
| Alternative Parents | Monocyclic monoterpenoids Benzenesulfonyl chlorides Phenylpropanes Cumenes Benzoic acids Benzoyl derivatives Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | P-cymene - Aromatic monoterpenoid - Benzenesulfonyl chloride - Monocyclic monoterpenoid - Benzenesulfonyl group - Benzoic acid or derivatives - Benzoic acid - Cumene - Phenylpropane - Benzoyl - Monocyclic benzene moiety - Benzenoid - Sulfonyl - Sulfonyl halide - Sulfonyl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. |
| External Descriptors | Not available |
| Molecular Weight | 262.710 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 262.007 Da |
| Monoisotopic Mass | 262.007 Da |
| Topological Polar Surface Area | 79.800 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 358.000 |
| 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 |
