≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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.
BTB-1 is a potent, selective and reversible mitotic motor protein Kif18A inhibitor with an IC50 of 1.69 μM.
| Pubchem Sid | 488189317 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488189317 |
| Canonical Smiles | C1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] |
| IUPAC Name | 1-(benzenesulfonyl)-4-chloro-2-nitrobenzene |
| InChIKey | VZDUQPHKUBZMLW-UHFFFAOYSA-N |
| INCHI | 1S/C12H8ClNO4S/c13-9-6-7-12(11(8-9)14(15)16)19(17,18)10-4-2-1-3-5-10/h1-8H |
| Isomeric SMILES | C1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] |
| Molecular Weight | 297.71 |
| Reaxy-Rn | 2538011 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2538011&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Nitrobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzenes |
| Alternative Parents | Benzenesulfonyl compounds Nitroaromatic compounds Chlorobenzenes Aryl chlorides Sulfones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Sulfone - Sulfonyl - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2322267 | Certificate of Analysis | Jan 19, 2026 | B288114 |
| C2322271 | Certificate of Analysis | Jan 19, 2026 | B288114 |
| C2322277 | Certificate of Analysis | Jan 19, 2026 | B288114 |
| C2322278 | Certificate of Analysis | Jan 19, 2026 | B288114 |
| C2322282 | Certificate of Analysis | Jan 19, 2026 | B288114 |
| C2322286 | Certificate of Analysis | Jan 19, 2026 | B288114 |
| C2322295 | Certificate of Analysis | Jan 19, 2026 | B288114 |
| C2322296 | Certificate of Analysis | Jan 19, 2026 | B288114 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 29.77, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 5.95, Max Conc. mM: 20 |
|---|---|
| Molecular Weight | 297.710 g/mol |
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 296.986 Da |
| Monoisotopic Mass | 296.986 Da |
| Topological Polar Surface Area | 88.300 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 422.000 |
| 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 |
