The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
· · COA & SDS available for every product · Same-day shipping on in-stock items 1H-3-Benzazepine, 6-chloro-2,3,4,5-tetrahydro-3-methyl-9-((3-methyl-2-butenyl)oxy)- , CAS No.110857-22-2
Synonyms
Skf 104078 | SK&F-104078 | SK&F 104078 | SKF-104078 | 22XBK6DY1E | SK-104078 | UNII-22XBK6DY1E | 1H-3-Benzazepine, 6-chloro-2,3,4,5-tetrahydro-3-methyl-9-((3-methyl-2-butenyl)oxy)- | skf104078 | DTXSID40149402 | CHEBI:125603 | BDBM50030623 | PDSP1_000610
🧪
Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
🌡
Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
📋
Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
📚
Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
Skf 104078 | SK&F-104078 | SK&F 104078 | SKF-104078 | 22XBK6DY1E | SK-104078 | UNII-22XBK6DY1E | 1H-3-Benzazepine, 6-chloro-2, 3, 4, 5-tetrahydro-3-methyl-9-((3-methyl-2-butenyl)oxy)- | skf104078 | DTXSID40149402 | CHEBI:125603 | BDBM50030623 | PDSP1_000610
Product Properties Names and Identifiers Canonical Smiles CC(=CCOC1=C2CCN(CCC2=C(C=C1)Cl)C)C IUPAC Name 6-chloro-3-methyl-9-(3-methylbut-2-enoxy)-1,2,4,5-tetrahydro-3-benzazepine InChIKey MBYSTKNEMJZSIK-UHFFFAOYSA-N INCHI 1S/C16H22ClNO/c1-12(2)8-11-19-16-5-4-15(17)13-6-9-18(3)10-7-14(13)16/h4-5,8H,6-7,9-11H2,1-3H3 Isomeric SMILES CC(=CCOC1=C2CCN(CCC2=C(C=C1)Cl)C)C Molecular Weight 279.8 Reaxy-Rn 8699827 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8699827&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 Benzazepines Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzazepines Alternative Parents Azepines Aralkylamines Alkyl aryl ethers Benzenoids Aryl chlorides Trialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzazepine - Alkyl aryl ether - Azepine - Aralkylamine - Aryl chloride - Aryl halide - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom). 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 279.800 g/mol XLogP3 4.400 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 3 Exact Mass 279.139 Da Monoisotopic Mass 279.139 Da Topological Polar Surface Area 12.500 Ų Heavy Atom Count 19 Formal Charge 0 Complexity 314.000 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
Solution Calculators Molarity Calculator Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator Reviews
We use cookies to ensure the website functions properly and, where permitted, to improve your experience. You can manage your preferences at any time in Settings. Learn more in our
Cookie Policy. Settings Agree All Decline
Shall we send you a message when we have discounts available?
Remind me later Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
Products are supplied to verified businesses, institutions, and qualified professionals for research and development use only. Not for use in humans, animals, diagnosis, or therapy.
Copyright © 2023–present Aladdin Scientific Corp. All rights reserved.
