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· · COA & SDS available for every product · Same-day shipping on in-stock items BIS-(4-METHYLSTYRYL) KETONE , CAS No.621-98-7
Synonyms
(1E,4E)-1,5-bis(p-tolyl)penta-1,4-dien-3-one | STK993604 | (1E,4E)-1,5-Di-p-tolylpenta-1,4-dien-3-one | (1E,4E)-1,5-dip-tolylpenta-1,4-dien-3-one | (1E,4E)-1,5-bis(4-methylphenyl)penta-1,4-dien-3-one | NSC97301 | NSC-97301 | SCHEMBL5598702 | A868534 | BIS
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Why this grade 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
(1E, 4E)-1, 5-bis(p-tolyl)penta-1, 4-dien-3-one | STK993604 | (1E, 4E)-1, 5-Di-p-tolylpenta-1, 4-dien-3-one | (1E, 4E)-1, 5-dip-tolylpenta-1, 4-dien-3-one | (1E, 4E)-1, 5-bis(4-methylphenyl)penta-1, 4-dien-3-one | NSC97301 | NSC-97301 | SCHEMBL5598702 | A868534 | BIS
Names and Identifiers Canonical Smiles CC1=CC=C(C=C1)C=CC(=O)C=CC2=CC=C(C=C2)C IUPAC Name (1E,4E)-1,5-bis(4-methylphenyl)penta-1,4-dien-3-one InChIKey GPAAWNJDOIZWQD-PHEQNACWSA-N INCHI 1S/C19H18O/c1-15-3-7-17(8-4-15)11-13-19(20)14-12-18-9-5-16(2)6-10-18/h3-14H,1-2H3/b13-11+,14-12+ Isomeric SMILES CC1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=C(C=C2)C Molecular Weight 262.355 Reaxy-Rn 2268308 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2268308&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 Styrenes Intermediate Tree Nodes Not available Direct Parent Styrenes Alternative Parents Toluenes Enones Acryloyl compounds Ketones Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Styrene - Toluene - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety. 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 Molecular Weight 262.300 g/mol XLogP3 4.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 4 Exact Mass 262.136 Da Monoisotopic Mass 262.136 Da Topological Polar Surface Area 17.100 Ų Heavy Atom Count 20 Formal Charge 0 Complexity 316.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 2 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 2 Covalently-Bonded Unit Count 1
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