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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items tert-butyl 7-bromo-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxylate - ≥97% , CAS No.740842-73-3
Synonyms
1,1-Dimethylethyl 7-bromo-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate | tert-Butyl-7-bromo-2,3-dihydrobenzo[f][1,4]oxazepine-4(5H)-carboxylate | Tert-butyl7-bromo-2,3-dihydrobenzo[f][1,4]oxazepine-4(5H)-carboxylate | AKOS005172167 | EN300-336162 | SCH
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Why this grade ≥97% 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 Sinónimos
1, 1-Dimethylethyl 7-bromo-2, 3-dihydro-1, 4-benzoxazepine-4(5H)-carboxylate | tert-Butyl-7-bromo-2, 3-dihydrobenzo[f][1, 4]oxazepine-4(5H)-carboxylate | Tert-butyl7-bromo-2, 3-dihydrobenzo[f][1, 4]oxazepine-4(5H)-carboxylate | AKOS005172167 | EN300-336162 | SCH
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Sonrisas canónicas CC(C)(C)OC(=O)N1CCOC2=C(C1)C=C(C=C2)Br IUPAC Name tert-butyl 7-bromo-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxylate InChIKey GOTCHZNAPXYRGA-UHFFFAOYSA-N INCHI 1S/C14H18BrNO3/c1-14(2,3)19-13(17)16-6-7-18-12-5-4-11(15)8-10(12)9-16/h4-5,8H,6-7,9H2,1-3H3 Isómeros SMILES CC(C)(C)OC(=O)N1CCOC2=C(C1)C=C(C=C2)Br CAS alternativo 740842-73-3 PubChem CID 25220760 Peso molecular 328.2
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 Clase Benzoxazepines Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzoxazepines Alternative Parents Alkyl aryl ethers Benzenoids Aryl bromides Carbamate esters Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzoxazepine - Alkyl aryl ether - Aryl bromide - Aryl halide - Benzenoid - Carbamic acid ester - Ether - Oxacycle - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as benzoxazepines. These are organic compounds containing a benzene fused to an oxazepine ring (a seven-membered ring with four carbon atoms, one oxygen atom, and a nitrogen 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.
Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 328.200 g/mol XLogP3 3.000 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 327.047 Da Monoisotopic Mass 327.047 Da Topological Polar Surface Area 38.800 Ų Heavy Atom Count 19 Formal Charge 0 Complexity 329.000 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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