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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-Chloro-3-nitrobenzenesulfonic acid - ≥97% , CAS No.121-18-6
Synonyms
AKOS005444329 | 2-Nitro-1-Chlorobenzene-4-Sulfonic Acid | NSC 7827 | Benzenesulfonic acid, 4-chloro-3-nitro- | I10101 | 2-Nitrochlorbenzol-4-sulfosaure | 2-Nitrochlorobenzene-4-sulfonic acid | SCHEMBL332971 | 8B8TXV456R | Benzenesulfonic acid,4-chloro-3-n
Storage
Desiccated,Room temperature
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Desiccated,Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
AKOS005444329 | 2-Nitro-1-Chlorobenzene-4-Sulfonic Acid | NSC 7827 | Benzenesulfonic acid, 4-chloro-3-nitro- | I10101 | 2-Nitrochlorbenzol-4-sulfosaure | 2-Nitrochlorobenzene-4-sulfonic acid | SCHEMBL332971 | 8B8TXV456R | Benzenesulfonic acid, 4-chloro-3-n
Specifications & Purity
≥97%
Storage
Desiccated, Room temperature
Names and Identifiers Pubchem Sid 504754122 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504754122 Canonical Smiles C1=CC(=C(C=C1S(=O)(=O)O)[N+](=O)[O-])Cl IUPAC Name 4-chloro-3-nitrobenzenesulfonic acid InChIKey RPKWNMFDAOACCX-UHFFFAOYSA-N INCHI 1S/C6H4ClNO5S/c7-5-2-1-4(14(11,12)13)3-6(5)8(9)10/h1-3H,(H,11,12,13) Isomeric SMILES C1=CC(=C(C=C1S(=O)(=O)O)[N+](=O)[O-])Cl NSC Number NSC Number': ['7827 Molecular Weight 237.62 Reaxy-Rn 1978597 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1978597&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Class Benzene and substituted derivatives Subclass Benzenesulfonic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Benzenesulfonic acids and derivatives Alternative Parents Nitrobenzenes Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Nitroaromatic compounds Chlorobenzenes Aryl chlorides Sulfonyls Organosulfonic acids 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 Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Nitrobenzene - 1-sulfo,2-unsubstituted aromatic compound - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organic nitro compound - C-nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 237.620 g/mol XLogP3 1.000 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 1 Exact Mass 236.95 Da Monoisotopic Mass 236.95 Da Topological Polar Surface Area 109.000 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 318.000 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
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