7-Propyl-3H-1,2-dioxepine

Basic Information

View in Editor

CAS Number

4469-34-5

Molecular Formula

C8H12O2

Molecular Weight

140.18 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

View in Editor

CCCC1OCC=CCO1

InChI

InChI=1S/C8H12O2/c1-2-5-8-6-3-4-7-9-10-8/h3-4,6H,2,5,7H2,1H3

InChIKey

FCUICJQFNOUENP-UHFFFAOYSA-N

LogP

2.1883999999999997

Topological Polar Surface Area

18.46 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

99.8

Synonyms & References

English

BCP33531
NSC92757
EX-A3279
A826874
VITAMINB6IMPURITY1
NSC-92757
2-Propyl-4,7-dihydro-1,3-dioxepine;Vitamin B6 Impurity 1;Pyridoxine Impurity 4
2-PROPYL-4,7-DIHYDRO-1,3-DIOXEPIN
VITAMIN B6 IMPURITY 1
4469-34-5
N-PROPYL DIOXEPIN
DTXSID60293875
2-propyl-4,7-dihydro-1,3-dioxepine
1,3-Dioxepin,4,7-dihydro-2-propyl-
2-propyl-1,3-dioxacyclohept-2-ene
2-propyl-1,3-dioxep-5-ene

MDL Number

MFCD19441326

Customs Code

2932999099

FAQ

What regulatory guidelines apply to 7-Propyl-3H-1,2-dioxepine (CAS: 4469-34-5)?

7-Propyl-3H-1,2-dioxepine (CAS: 4469-34-5) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations, and FDA/EPA requirements. Users must ensure compliance with local and international safety standards, including proper labeling and storage to prevent hazardous exposure. Documentation of hazardous properties and safe handling practices are mandatory.

Are there alternatives to 7-Propyl-3H-1,2-dioxepine (CAS: 4469-34-5) in synthesis?

Alternatives to 7-Propyl-3H-1,2-dioxepine (CAS: 4469-34-5) include similar cyclic compounds such as 7-methyl-3H-1,2-dioxepine and 7-ethyl-3H-1,2-dioxepine. These analogs can serve as viable substitutes in certain synthesis processes. Additionally, researchers explore the use of functionalized derivatives or related dioxepines to achieve desired chemical properties.

What is the market or research trend for 7-Propyl-3H-1,2-dioxepine (CAS: 4469-34-5)?

The market for 7-Propyl-3H-1,2-dioxepine (CAS: 4469-34-5) is growing due to its applications in pharmaceuticals and agrochemicals. Research trends focus on its use as a building block in medicinal chemistry and as a template for developing new drugs. Recent studies highlight its potential in anti-inflammatory and anti-cancer treatments, driving increased demand and investment in related projects.

How should waste containing 7-Propyl-3H-1,2-dioxepine (CAS: 4469-34-5) be handled?

Waste containing 7-Propyl-3H-1,2-dioxepine (CAS: 4469-34-5) should be collected in appropriate containers and stored in a controlled environment to prevent environmental contamination. For safe disposal, consider professional waste treatment facilities. Incineration is an effective method, but precautions must be taken to ensure the process is conducted under strict environmental regulations to minimize emissions and ecological impact.