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· · COA & SDS available for every product · Same-day shipping on in-stock items Benalfocin , CAS No.73943-10-9
Synonyms
benalfocin | Skf 86466 | SK&F-86466 | 6-chloro-3-methyl-2,3,4,5-tetrahydro-1h-3-benzazepine | SK&F 86466 | 6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine | YCN2U5UGIQ | Lopac-S-1563 | SKF-86466 | 6-Chloro-2,3,4,5-tetrahydro-3-methyl-1H-3-benzazepine |
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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 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
benalfocin | Skf 86466 | SK&F-86466 | 6-chloro-3-methyl-2, 3, 4, 5-tetrahydro-1h-3-benzazepine | SK&F 86466 | 6-chloro-3-methyl-1, 2, 4, 5-tetrahydro-3-benzazepine | YCN2U5UGIQ | Lopac-S-1563 | SKF-86466 | 6-Chloro-2, 3, 4, 5-tetrahydro-3-methyl-1H-3-benzazepine |
Product Properties Names and Identifiers Canonical Smiles CN1CCC2=C(CC1)C(=CC=C2)Cl IUPAC Name 6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine InChIKey RSRUDTPYRBLHEO-UHFFFAOYSA-N INCHI 1S/C11H14ClN/c1-13-7-5-9-3-2-4-11(12)10(9)6-8-13/h2-4H,5-8H2,1H3 Isomeric SMILES CN1CCC2=C(CC1)C(=CC=C2)Cl Molecular Weight 195.69 Reaxy-Rn 5734797 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5734797&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 Benzenoids Aryl chlorides Trialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzazepine - Azepine - Aralkylamine - Benzenoid - Aryl halide - Aryl chloride - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - 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 benzazepine 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 195.690 g/mol XLogP3 2.900 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 0 Exact Mass 195.081 Da Monoisotopic Mass 195.081 Da Topological Polar Surface Area 3.200 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 171.000 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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