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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Phenylsulfonylacetonitrile - ≥98% , CAS No.7605-28-9
Synonyms
SCHEMBL751 | Citrulline malate [WHO-DD] | 2-(Phenylsulfonyl)acetonitrile | 2,3,6-Tri-O-methyl-beta-cyclodextrin | (Phenylsulfonyl)acetonitrile | AKOS000271283 | EG040ZE63K | S10546 | DTXSID40226949 | F3122-0050 | Z104343452 | Benzenesulfonylacetonitrile |
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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 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.
Descripción general Usually used in the synthesis of pyridines, chromenes and thiophene derivatives based on sulfones.
Specifications Sinónimos
SCHEMBL751 | Citrulline malate [WHO-DD] | 2-(Phenylsulfonyl)acetonitrile | 2, 3, 6-Tri-O-methyl-beta-cyclodextrin | (Phenylsulfonyl)acetonitrile | AKOS000271283 | EG040ZE63K | S10546 | DTXSID40226949 | F3122-0050 | Z104343452 | Benzenesulfonylacetonitrile |
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 488186044 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488186044 Sonrisas canónicas C1=CC=C(C=C1)S(=O)(=O)CC#N IUPAC Name 2-(benzenesulfonyl)acetonitrile InChIKey ZFCFFNGBCVAUDE-UHFFFAOYSA-N INCHI 1S/C8H7NO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,7H2 Isómeros SMILES C1=CC=C(C=C1)S(=O)(=O)CC#N WGK Alemania 3 PubChem CID 82077 Peso molecular 181.21 Beilstein 640716 Reaxy-Rn 640716
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 Benzenesulfonyl compounds Intermediate Tree Nodes Not available Direct Parent Benzenesulfonyl compounds Alternative Parents Sulfones Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Benzenesulfonyl group - Sulfonyl - Sulfone - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl 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 Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Solubilidad Soluble in Methanol Punto de fusión (°C) 112 °C Peso molecular 181.210 g/mol XLogP3 0.900 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 181.02 Da Monoisotopic Mass 181.02 Da Topological Polar Surface Area 66.300 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 274.000 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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