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· · COA & SDS available for every product · Same-day shipping on in-stock items 1,8-Diazabicyclo[5.4.0]-7-undecene Hydrogen Tribromide - ≥98% , CAS No.138666-59-8
Synonyms
1,8-Diazabicyclo[5.4.0]-7-undeceneHydrogenTribromide | 1,8-DIAZABICYCLO[5.4.0]UNDEC-7-ENE HYDROTRIBROMIDE | D90241 | 1,8-Diazabicyclo[5.4.0]-7-undecene hydrogen tribromide, 98% | MFCD00191982 | molecular bromine;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]az
Storage
Store at 2-8°C,Protected from light
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Protected from light 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
1, 8-Diazabicyclo[5.4.0]-7-undeceneHydrogenTribromide | 1, 8-DIAZABICYCLO[5.4.0]UNDEC-7-ENE HYDROTRIBROMIDE | D90241 | 1, 8-Diazabicyclo[5.4.0]-7-undecene hydrogen tribromide, 98% | MFCD00191982 | molecular bromine;2, 3, 4, 6, 7, 8, 9, 10-octahydropyrimido[1, 2-a]az
Specifications & Purity
≥98%
Storage
Store at 2-8°C, Protected from light
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles C1CCC2=NCCCN2CC1.Br.BrBr IUPAC Name molecular bromine;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;hydrobromide InChIKey QRUHFOGNKQZFMD-UHFFFAOYSA-N INCHI 1S/C9H16N2.Br2.BrH/c1-2-5-9-10-6-4-8-11(9)7-3-1;1-2;/h1-8H2;;1H Isomeric SMILES C1CCC2=NCCCN2CC1.Br.BrBr WGK Germany 3 PubChem CID 56593867 Molecular Weight 392.96 Reaxy-Rn 5464595
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 Azepanes Subclass Not available Intermediate Tree Nodes Not available Direct Parent Azepanes Alternative Parents Imidolactams Hydropyrimidines Tertiary amines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxamidines Azacyclic compounds Hydrocarbon derivatives Hydrobromides Molecular Framework Aliphatic heteropolycyclic compounds Substituents Azepane - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Imidolactam - Tertiary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Azacycle - Carboxylic acid amidine - Amidine - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Hydrobromide - Aliphatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as azepanes. These are organic compounds containing a saturated seven member heterocycle, with one 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.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Sensitivity light & Moisture sensitive Melt Point(°C) 123 °C Molecular Weight 392.960 g/mol XLogP3 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 0 Exact Mass 391.892 Da Monoisotopic Mass 389.894 Da Topological Polar Surface Area 15.600 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 163.000 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 3
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