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· · COA & SDS available for every product · 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.
Overview Usually used in the synthesis of pyridines, chromenes and thiophene derivatives based on sulfones.
Specifications 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 |
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid 488186044 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488186044 Canonical Smiles 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 Isomeric SMILES C1=CC=C(C=C1)S(=O)(=O)CC#N WGK Germany 3 PubChem CID 82077 Molecular Weight 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 Class 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 Description 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.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Soluble in Methanol Melt Point(°C) 112 °C Molecular Weight 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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