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· · COA & SDS available for every product · Same-day shipping on in-stock items (3-Chlorobenzoyl)acetonitrile - ≥95%(HPLC) , CAS No.21667-62-9
Synonyms
A4657 | SCHEMBL134693 | 3-(3-chlorophenyl)-3-oxo-propionitrile | (3-chlorobenzoyl)acetonitrile | OLEYLACETATE | SY037741 | 3-CHLOROBENZOYLACETONITIRLE | 3-Chlorobenzoylacetonitrile | W-206666 | C2581 | MFCD00067891 | 2-(3-Chlorobenzoyl)acetonitrile | CL88
Storage
Store at 2-8°C,Argon charged
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Why this grade ≥95%(HPLC) 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
A4657 | SCHEMBL134693 | 3-(3-chlorophenyl)-3-oxo-propionitrile | (3-chlorobenzoyl)acetonitrile | OLEYLACETATE | SY037741 | 3-CHLOROBENZOYLACETONITIRLE | 3-Chlorobenzoylacetonitrile | W-206666 | C2581 | MFCD00067891 | 2-(3-Chlorobenzoyl)acetonitrile | CL88
Specifications & Purity
≥95%(HPLC)
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 Pubchem Sid 504757218 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504757218 Canonical Smiles C1=CC(=CC(=C1)Cl)C(=O)CC#N IUPAC Name 3-(3-chlorophenyl)-3-oxopropanenitrile InChIKey IUDFNNHFARLIPF-UHFFFAOYSA-N INCHI 1S/C9H6ClNO/c10-8-3-1-2-7(6-8)9(12)4-5-11/h1-3,6H,4H2 Isomeric SMILES C1=CC(=CC(=C1)Cl)C(=O)CC#N WGK Germany 3 Molecular Weight 179.6 Reaxy-Rn 2414476 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2414476&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 Benzoyl derivatives Aryl alkyl ketones Chlorobenzenes Aryl chlorides Nitriles Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Halobenzene - Chlorobenzene - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Aryl halide - Nitrile - Carbonitrile - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen 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 Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Sensitivity air & heat sensitive Melt Point(°C) 82 °C Molecular Weight 179.600 g/mol XLogP3 2.400 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 2 Exact Mass 179.014 Da Monoisotopic Mass 179.014 Da Topological Polar Surface Area 40.900 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 218.000 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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