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· · COA & SDS available for every product · Same-day shipping on in-stock items Trans-Crotononitrile - ≥75% , CAS No.627-26-9
Synonyms
CROTONONITRILE | crotono-nitrile | Crotonitrile | 2-Butenenitrile, mixture of cis and trans | EINECS 225-335-1 | E74GS2HL23 | 1-Propenyl cyanide | CHEBI:191223 | trans-Crotononitrile | 2-Butenenitrile | C3132 | crotonitril | trans-but-2-enenitrile | 2-BUT
Storage
Room temperature,Argon charged
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Why this grade ≥75% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature,Argon charged 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
CROTONONITRILE | crotono-nitrile | Crotonitrile | 2-Butenenitrile, mixture of cis and trans | EINECS 225-335-1 | E74GS2HL23 | 1-Propenyl cyanide | CHEBI:191223 | trans-Crotononitrile | 2-Butenenitrile | C3132 | crotonitril | trans-but-2-enenitrile | 2-BUT
Specifications & Purity
≥75%
Storage
Room temperature, Argon charged
Names and Identifiers Canonical Smiles CC=CC#N IUPAC Name (E)-but-2-enenitrile InChIKey NKKMVIVFRUYPLQ-NSCUHMNNSA-N INCHI 1S/C4H5N/c1-2-3-4-5/h2-3H,1H3/b3-2+ Isomeric SMILES C/C=C/C#N RTECS EM8020000 Alternate CAS 4786-20-3 UN Number UN1993 Packing Group II Molecular Weight 67.09 Reaxy-Rn 1098388 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098388&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 nitrogen compounds Class Organonitrogen compounds Subclass Organic cyanides Intermediate Tree Nodes Not available Direct Parent Nitriles Alternative Parents Organopnictogen compounds Hydrocarbon derivatives Molecular Framework Aliphatic acyclic compounds Substituents Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound Description This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N. 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) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Sensitivity Air Sensitive Refractive Index 1.42 Flash Point(°F) 16°C(lit.) Flash Point(°C) 16°C(lit.) Molecular Weight 67.090 g/mol XLogP3 0.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 0 Exact Mass 67.0422 Da Monoisotopic Mass 67.0422 Da Topological Polar Surface Area 23.800 Ų Heavy Atom Count 5 Formal Charge 0 Complexity 72.900 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 1 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 1 Covalently-Bonded Unit Count 1
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