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· · COA & SDS available for every product · Same-day shipping on in-stock items 2-Cyanophenylacetonitrile - ≥97%(GC) , CAS No.3759-28-2
Synonyms
.alpha.-Cyano-ortho-tolunitrile | alpha-cyanotolunitrile | EINECS 223-167-3 | STR03678 | 2-Cyanobenzyl cyanide | DTXSID80191026 | (2-amino-3-hydroxy-6-methoxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)methyl carbamate | SCHEMBL820195 | (o
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Why this grade ≥97%(GC) 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
.alpha.-Cyano-ortho-tolunitrile | alpha-cyanotolunitrile | EINECS 223-167-3 | STR03678 | 2-Cyanobenzyl cyanide | DTXSID80191026 | (2-amino-3-hydroxy-6-methoxy-7-methyl-5, 8-dioxo-2, 3-dihydro-1H-pyrrolo[1, 2-a]indol-4-yl)methyl carbamate | SCHEMBL820195 | (o
Specifications & Purity
≥97%(GC)
Names and Identifiers Pubchem Sid 488185398 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488185398 Canonical Smiles C1=CC=C(C(=C1)CC#N)C#N IUPAC Name 2-(cyanomethyl)benzonitrile InChIKey GKHSEDFDYXZGCG-UHFFFAOYSA-N INCHI 1S/C9H6N2/c10-6-5-8-3-1-2-4-9(8)7-11/h1-4H,5H2 Isomeric SMILES C1=CC=C(C(=C1)CC#N)C#N WGK Germany 3 RTECS XV0930000 Molecular Weight 142.16 Beilstein 1940497 Reaxy-Rn 1940497 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1940497&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 Benzenoids Class Benzene and substituted derivatives Subclass Benzyl cyanides Intermediate Tree Nodes Not available Direct Parent Benzyl cyanides Alternative Parents Benzonitriles Nitriles Organopnictogen compounds Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Benzyl-cyanide - Benzonitrile - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as benzyl cyanides. These are organic compounds containing an acetonitrile with one hydrogen replaced by 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 Solubility Soluble in Methanol Melt Point(°C) 80°C Molecular Weight 142.160 g/mol XLogP3 1.500 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 1 Exact Mass 142.053 Da Monoisotopic Mass 142.053 Da Topological Polar Surface Area 47.600 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 214.000 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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