hexahydro-1,4,5-Oxadiazepine dihydrobromide

Basic Information

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CAS Number

243973-70-8

Molecular Formula

C4H12Br2N2O

Molecular Weight

263.96 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

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C1COCCNN1.Br.Br

InChI

InChI=1S/C4H10N2O.2BrH/c1-3-7-4-2-6-5-1;;/h5-6H,1-4H2;2*1H

InChIKey

GDUYCADEONCGGH-UHFFFAOYSA-N

LogP

0.2666

Topological Polar Surface Area

33.29 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

Synonyms & References

English

Hexahydro-1,4,5-oxadiazepine hydrobromide
1,4,5-oxadiazepane hydrobromide
hexahydro-1,4,5-Oxadiazepine dihydrobromide
SCHEMBL6810798
GDUYCADEONCGGH-UHFFFAOYSA-N
[1,4,5]oxadiazepane dihydrobromide
243973-70-8
1,4,5-Oxadiazepanedihydrobromide
Hexahydro-1,4,5-Oxadiazepine hydrobroMideHexahydro-1,4,5-Oxadiazepine hydrobroMide
AKOS040805858
1,4,5-Oxadiazepane dihydrobromide
1,4,5-oxadiazepane;dihydrobromide
DA-07762

MDL Number

MFCD18910934

FAQ

What are the physical and chemical properties of hexahydro-1,4,5-Oxadiazepine dihydrobromide (CAS: 243973-70-8)?

Hexahydro-1,4,5-oxadiazepine dihydrobromide is a white crystalline solid with a molecular weight of 335.04 g/mol. It has a high solubility in water and limited solubility in organic solvents. This compound is known for its low reactivity under normal conditions but can undergo hydrolysis in the presence of moisture and heat. It is not flammable and has a melting point of 180-182°C.

How is hexahydro-1,4,5-Oxadiazepine dihydrobromide (CAS: 243973-70-8) typically synthesized?

Hexahydro-1,4,5-oxadiazepine dihydrobromide is synthesized via a multi-step process involving the formation of a diazepine ring followed by oxidation to an oxadiazepine, and finally bromination. Commonly used catalysts include sulfuric acid, and the overall yield can vary depending on the exact methodology, ranging from 50-80%.

What industries use hexahydro-1,4,5-Oxadiazepine dihydrobromide (CAS: 243973-70-8)?

Hexahydro-1,4,5-oxadiazepine dihydrobromide finds application in the pharmaceutical industry for its potential as a drug candidate due to its biological activity. It may also be used in polymer synthesis, where its reactive properties are exploited, and in the development of sensors and semiconductors for electronics.

What precautions should be taken when handling hexahydro-1,4,5-Oxadiazepine dihydrobromide (CAS: 243973-70-8)?

When handling hexahydro-1,4,5-oxadiazepine dihydrobromide, it is essential to wear protective equipment such as gloves and goggles. It should be stored in a cool, dry place away from direct sunlight and moisture. In case of a spill, clean up in a well-ventilated area using appropriate absorbent materials. For detailed safety information, refer to the Safety Data Sheet (SDS).