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· · COA & SDS available for every product · Same-day shipping on in-stock items 2-Acetylbenzenecarbonitrile - ≥95% , CAS No.91054-33-0
Synonyms
2-Acetyl benzene carbonitrile | EN300-93628 | DTXSID70919993 | MFCD00272571 | SCHEMBL180961 | 2-acetylbenzonitrile | 2-Acetyl-benzonitrile | J-507710 | AM20060991 | SY012002 | AKOS005069845 | SB39827 | FT-0610973 | Benzonitrile, acetyl- | 1T-0269 | 2-acet
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Why this grade ≥95% 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.
Specifications Synonyms
2-Acetyl benzene carbonitrile | EN300-93628 | DTXSID70919993 | MFCD00272571 | SCHEMBL180961 | 2-acetylbenzonitrile | 2-Acetyl-benzonitrile | J-507710 | AM20060991 | SY012002 | AKOS005069845 | SB39827 | FT-0610973 | Benzonitrile, acetyl- | 1T-0269 | 2-acet
Specifications & Purity
≥95%
Names and Identifiers Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488193363
Canonical Smiles
CC(=O)C1=CC=CC=C1C#N
IUPAC Name
2-acetylbenzonitrile
InChIKey
UZSGWJQJDLCCFN-UHFFFAOYSA-N
INCHI
1S/C9H7NO/c1-7(11)9-5-3-2-4-8(9)6-10/h2-5H,1H3
Isomeric SMILES
CC(=O)C1=CC=CC=C1C#N
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2638557&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 Organic oxygen compounds Class Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones Direct Parent Alkyl-phenylketones Alternative Parents Acetophenones Benzoyl derivatives Benzonitriles Aryl alkyl ketones Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Alkyl-phenylketone - Acetophenone - Aryl alkyl ketone - Benzoyl - Benzonitrile - Benzenoid - Monocyclic benzene moiety - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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 Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Melt Point(°C) 46-48℃ Molecular Weight 145.160 g/mol XLogP3 1.200 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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