1,8-Diazabicyclo[5.4.0]-7-undecene Hydrogen Tribromide TCI D3976

Chemical Identity

Other names: 2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-a]azepine Hydrogen Tribromide
CAS No.: 138666-59-8
PubChem: CID 56593867·SID 125307468
Formula: C9H16N2.HBr3
Molecular weight: 392.96 g/mol
Purity: >98.0%(HPLC)(N)

Full identifiers (IUPAC, SMILES, InChIKey)

IUPAC: molecular bromine;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;hydrobromide
SMILES: C1CCC2=NCCCN2CC1.Br.BrBr
InChIKey: QRUHFOGNKQZFMD-UHFFFAOYSA-N
MDL: MDL00191982

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1,8-Diazabicyclo[5.4.0]-7-undecene Hydrogen Tribromide is a synthetic reagent widely used in organic chemistry for its ability to participate in halogenation reactions. This compound plays a crucial role in the formation of C-X (halogen) bonds, which are essential in the synthesis of complex organic molecules. Its unique structure allows for selective substitution reactions, making it a valuable tool in the hands of chemists working on intricate molecular designs. In laboratory settings, it is often employed to introduce bromine atoms into organic substrates, enabling the creation of compounds with specific functional groups and molecular architectures.

The compound is valued for its reactivity and stability under controlled conditions. It exhibits good solubility in organic solvents, which enhances its usability in various synthetic procedures. Its ability to form strong covalent bonds contributes to its effectiveness in chemical reactions requiring high precision. Additionally, its predictable behavior in different reaction environments ensures consistent results, making it a reliable choice for both academic and industrial research. These properties collectively make it a preferred reagent in the field of organic synthesis.

In Indonesian laboratories, this reagent is commonly used in pharmaceutical and material science research. It supports the development of new drugs and advanced materials by facilitating the synthesis of complex organic compounds. Its application is widespread in educational and research institutions, where it is used to teach and conduct experiments related to organic chemistry and halogenation processes.

TCI brochures (PDF)

Halogenation Reagents 2026-04-03 · p. 6

Related TCI products

Organic Synthesis: This reagent is ideal for creating complex organic molecules through halogenation reactions, offering precise control over bond formation.
Pharmaceutical Research: It is used to synthesize compounds with specific functional groups, aiding in drug development and molecular design.
Material Science: The compound supports the creation of advanced materials by enabling the formation of halogenated structures with desired properties.
Educational Research: It is widely used in academic settings to demonstrate halogenation mechanisms and synthetic techniques in organic chemistry.
Industrial Chemistry: Its stability and reactivity make it suitable for large-scale chemical processes requiring controlled halogenation reactions.

Brand	TCI
CAS number	138666-59-8
Molecular formula	—
Purity	—
Category	Chemistry > Synthetic Reagents > C-X(Halogen) Bond Formation [Synthetic Reagents]
Pack sizes	Available in various quantities as per supplier specifications
Physical form	Liquid
Storage	Store in a cool, dark place away from moisture and incompatible substances

This reagent should be stored in a cool, dry environment to maintain its stability and reactivity. It is recommended to keep it in a tightly sealed container to prevent exposure to moisture and air. Due to its reactive nature, it should be handled in a well-ventilated area, preferably under a fume hood. Avoid contact with incompatible materials such as strong bases or reducing agents. Always use appropriate personal protective equipment, including gloves and safety goggles, when handling this compound. Proper storage and handling ensure the safety of laboratory personnel and the integrity of the reagent for future use.

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