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· · COA & SDS available for every product · Same-day shipping on in-stock items 8-Chlorodibenzo[b,f]thiepin-10(11H)-one - ≥95% , CAS No.1469-28-9
Synonyms
EN300-7353427 | 8-chloro-10,11-dihydro-5H-dibenzo[b,f]thiepin-10-one | 3-chloro-6H-benzo[b][1]benzothiepin-5-one | BAA46928 | AE-641/30101063 | 6-Chloro-2-thiatricyclo[9.4.0.0,3,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-one | 8-chlorodibenzo[b,f]thiepin-10(1
Storage
Store at 2-8°C,Desiccated
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Why this grade ≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Desiccated Ships Wet ice 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
EN300-7353427 | 8-chloro-10, 11-dihydro-5H-dibenzo[b, f]thiepin-10-one | 3-chloro-6H-benzo[b][1]benzothiepin-5-one | BAA46928 | AE-641/30101063 | 6-Chloro-2-thiatricyclo[9.4.0.0, 3, 8]pentadeca-1(15), 3, 5, 7, 11, 13-hexaen-9-one | 8-chlorodibenzo[b, f]thiepin-10(1
Specifications & Purity
≥95%
Storage
Store at 2-8°C, Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles C1C2=CC=CC=C2SC3=C(C1=O)C=C(C=C3)Cl IUPAC Name 3-chloro-6H-benzo[b][1]benzothiepin-5-one InChIKey RFEQOXYRLRIDPF-UHFFFAOYSA-N INCHI 1S/C14H9ClOS/c15-10-5-6-14-11(8-10)12(16)7-9-3-1-2-4-13(9)17-14/h1-6,8H,7H2 Isomeric SMILES C1C2=CC=CC=C2SC3=C(C1=O)C=C(C=C3)Cl Molecular Weight 260.74 Reaxy-Rn 1116483 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1116483&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 Benzothiepins Subclass Dibenzothiepins Intermediate Tree Nodes Not available Direct Parent Dibenzothiepins Alternative Parents Diarylthioethers Aryl alkyl ketones Vinylogous thioesters Benzenoids Aryl chlorides Organochlorides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Dibenzothiepin - Diarylthioether - Aryl thioether - Aryl ketone - Aryl alkyl ketone - Aryl chloride - Aryl halide - Benzenoid - Vinylogous thioester - Ketone - Thioether - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as dibenzothiepins. These are compounds containing a dibenzothiepin moiety, which consists of two benzene connected by a thiepine ring. 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 260.700 g/mol XLogP3 4.100 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 0 Exact Mass 260.006 Da Monoisotopic Mass 260.006 Da Topological Polar Surface Area 42.400 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 307.000 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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