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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 2-Sulfobenzoic acid hydrate - ≥98% , CAS No.123333-68-6
Synonyms
2-Sulfobenzoic acid hydrate|123333-68-6|2-sulfobenzoic acid;hydrate|2-Sulfobenzoic acid trihydrate|2-Sulfobenzoicacidhydrate|SCHEMBL818710|DTXSID50924464|2-Sulfobenzoic acid--water (1/1)|MFCD00149534|AKOS025244046|DS-12168|FT-0723348|E77233|EN300-108107|A
Storage
Argon charged,Room temperature
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Argon charged,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 Sinónimos
2-Sulfobenzoic acid hydrate | 123333-68-6 | 2-sulfobenzoic acid;hydrate | 2-Sulfobenzoic acid trihydrate | 2-Sulfobenzoicacidhydrate | SCHEMBL818710 | DTXSID50924464 | 2-Sulfobenzoic acid--water (1/1) | MFCD00149534 | AKOS025244046 | DS-12168 | FT-0723348 | E77233 | EN300-108107 | A
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Argon charged, Room temperature
Nombres e identificadores Pubchem Sid 504769850 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504769850 Sonrisas canónicas C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)O.O IUPAC Name 2-sulfobenzoic acid;hydrate InChIKey HVJWSZOEEIYKSS-UHFFFAOYSA-N INCHI 1S/C7H6O5S.H2O/c8-7(9)5-3-1-2-4-6(5)13(10,11)12;/h1-4H,(H,8,9)(H,10,11,12);1H2 Isómeros SMILES C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)O.O PubChem CID 24820382 Peso molecular 202.19(anhy) Beilstein 2106852
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 Clase Benzene and substituted derivatives Subclass Benzenesulfonic acids and derivatives Intermediate Tree Nodes Sulfobenzoic acids Direct Parent 2-sulfobenzoic acids Alternative Parents Benzoic acids Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Benzoyl derivatives Sulfonyls Organosulfonic acids Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents 2-sulfobenzoic acid - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Benzoic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzoic acid - Benzoyl - Sulfonyl - Organosulfonic acid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as 2-sulfobenzoic acids. These are sulfobenzoic acid carrying the sulfonyl group at the 2-position of the benzene group. 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.
Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Sensibilidad Hygroscopic Punto de fusión (°C) 142°C Peso molecular 220.200 g/mol XLogP3 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 2 Exact Mass 220.004 Da Monoisotopic Mass 220.004 Da Topological Polar Surface Area 101.000 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 2
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