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· · COA & SDS available for every product · Same-day shipping on in-stock items 2-Methylbenzoyl cyanide - ≥98% , CAS No.5955-73-7
Synonyms
2-(2-methylphenyl)-2-oxoacetonitrile | 2-METHYLBENZOYLCYANIDE | 2-methylphenylglyoxylonitrile | Benzeneacetonitrile,2-Methyl-a-oxo- | OXO-O-TOLYL-ACETONITRILE | (2-methylphenyl)(oxo)acetonitrile | Benzeneacetonitrile,2-methyl-α-oxo- | 2-METHYLBENZOYL
Storage
Store at 2-8°C,Argon charged
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Argon charged Ships Wet ice 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
2-(2-methylphenyl)-2-oxoacetonitrile | 2-METHYLBENZOYLCYANIDE | 2-methylphenylglyoxylonitrile | Benzeneacetonitrile, 2-Methyl-a-oxo- | OXO-O-TOLYL-ACETONITRILE | (2-methylphenyl)(oxo)acetonitrile | Benzeneacetonitrile, 2-methyl-α-oxo- | 2-METHYLBENZOYL
Specifications & Purity
≥98%
Storage
Store at 2-8°C, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles CC1=CC=CC=C1C(=O)C#N IUPAC Name 2-methylbenzoyl cyanide InChIKey WYXWANVHOUGOBI-UHFFFAOYSA-N INCHI 1S/C9H7NO/c1-7-4-2-3-5-8(7)9(11)6-10/h2-5H,1H3 Isomeric SMILES CC1=CC=CC=C1C(=O)C#N Alternate CAS 5955-73-7 Molecular Weight 145.16
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 Benzoyl derivatives Intermediate Tree Nodes Not available Direct Parent Benzoyl derivatives Alternative Parents Aryl ketones Toluenes Acyl cyanides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Aryl ketone - Benzoyl - Toluene - Ketone - Nitrile - Carbonitrile - Acyl cyanide - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). 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 Sensitivity heat and moisture sensitive Molecular Weight 145.160 g/mol XLogP3 2.500 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 1 Exact Mass 145.053 Da Monoisotopic Mass 145.053 Da Topological Polar Surface Area 40.900 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 201.000 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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