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· · COA & SDS available for every product · Same-day shipping on in-stock items 3-Cyanoindole - ≥98% , CAS No.5457-28-3
Synonyms
SY027479 | 3-Cyanoindole, 98% | BB 0242412 | SCHEMBL186741 | STK803037 | STR04969 | 4,6-Dichloro-2-(methylthio)pyrimidine, 98% | AC-27780 | (1H)-indole-3-carbonitrile | 3-Indolecarbonitrile | EN300-86125 | 1H-Indole-3-carbonitrile | C-8795 | NSC24935 | NS
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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 Reactant for preparation of: Tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles as potential anticancer immunomodulators. Inhibitors of the C-terminal domain of RNA polymerase II with antitumor activities. 4-substituted β-lactams. Biologically active Indoles. Inhibitors of glycogen synthase kinase 3β (GSK-3). HIV-1 integrase inhibitors. Indole fragments as inosine monophosphate dehydrogenase (IMPDH) inhibitors. Aziridinomitosene skeleton. Potential antiviral agents. Reactant for: Intramolecular oxidative C-H coupling reactions with applications in medium-ring synthesis techniques.
Specifications Synonyms
SY027479 | 3-Cyanoindole, 98% | BB 0242412 | SCHEMBL186741 | STK803037 | STR04969 | 4, 6-Dichloro-2-(methylthio)pyrimidine, 98% | AC-27780 | (1H)-indole-3-carbonitrile | 3-Indolecarbonitrile | EN300-86125 | 1H-Indole-3-carbonitrile | C-8795 | NSC24935 | NS
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid 488188808 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488188808 Canonical Smiles C1=CC=C2C(=C1)C(=CN2)C#N IUPAC Name 1H-indole-3-carbonitrile InChIKey CHIFTAQVXHNVRW-UHFFFAOYSA-N INCHI 1S/C9H6N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H Isomeric SMILES C1=CC=C2C(=C1)C(=CN2)C#N WGK Germany 3 Molecular Weight 142.16 Beilstein 120888 Reaxy-Rn 120888 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=120888&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 Organoheterocyclic compounds Class Indoles and derivatives Subclass Indoles Intermediate Tree Nodes Not available Direct Parent Indoles Alternative Parents Substituted pyrroles Benzenoids Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Indole - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole. 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 Sensitivity Light Sensitive Melt Point(°C) 179-182°C Molecular Weight 142.160 g/mol XLogP3 2.300 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 0 Exact Mass 142.053 Da Monoisotopic Mass 142.053 Da Topological Polar Surface Area 39.600 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 191.000 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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