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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 4-Nitrobenzenesulfonic Acid Hydrate - ≥98% , CAS No.138-42-1
Synonyms
W-111700 | EINECS 205-329-5 | VU0549445-1 | F9995-1218 | D95247 | Benzenesulphonic acid, p-nitro- | AM97536 | N0140 | Benzenesulfonic acid, 4-nitro- | F26NQB9BJE | NSC5376 | NSC-5376 | p-Nitrobenzenesulphonic acid | CCRIS 3132 | UNII-F26NQB9BJE | SCHEMBL9
Storage
Room temperature,Desiccated,Cool
Shipped In
FedEx DG Service
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature,Desiccated,Cool Ships FedEx DG Service 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
W-111700 | EINECS 205-329-5 | VU0549445-1 | F9995-1218 | D95247 | Benzenesulphonic acid, p-nitro- | AM97536 | N0140 | Benzenesulfonic acid, 4-nitro- | F26NQB9BJE | NSC5376 | NSC-5376 | p-Nitrobenzenesulphonic acid | CCRIS 3132 | UNII-F26NQB9BJE | SCHEMBL9
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature, Desiccated, Cool
Enviado en
FedEx DG Service
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Nombres e identificadores Sonrisas canónicas C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)O IUPAC Name 4-nitrobenzenesulfonic acid InChIKey SPXOTSHWBDUUMT-UHFFFAOYSA-N INCHI 1S/C6H5NO5S/c8-7(9)5-1-3-6(4-2-5)13(10,11)12/h1-4H,(H,10,11,12) Isómeros SMILES C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)O Número ONU 2305 Peso molecular 203.17(anhydrous basis) Beilstein 11(3)134 Reaxy-Rn 2214219 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2214219&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 Clase Benzene and substituted derivatives Subclass Benzenesulfonic acids and derivatives Intermediate Tree Nodes Not available Direct Parent p-Nitrobenzenesulfonates Alternative Parents p-Bromobenzenesulfonates Nitrobenzenes Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Nitroaromatic compounds Sulfonyls Organosulfonic acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents P-nitrobenzenesulfonate - P-bromobenzenesulfonate - Arylsulfonic acid or derivatives - Nitrobenzene - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Nitroaromatic compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as p-nitrobenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a nitro group at the para- position. 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 Solubilidad Soluble in water Punto de fusión (°C) 105-112°C Peso molecular 203.170 g/mol XLogP3 0.800 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 1 Exact Mass 202.989 Da Monoisotopic Mass 202.989 Da Topological Polar Surface Area 109.000 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 279.000 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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