3,4-Bis(2-methoxyethoxy)benzonitrile

Basic Information

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CAS Number

80407-68-7

Molecular Formula

C13H17NO4

Molecular Weight

240.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Boiling Point

382 ºC

Density

1.12

Flash Point

151 ºC

SMILES

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COCCOC1=C(C=C(C=C1)C#N)OCCOC

InChI

InChI=1S/C13H17NO4/c1-15-5-7-17-12-4-3-11(10-14)9-13(12)18-8-6-16-2/h3-4,9H,5-8H2,1-2H3

InChIKey

KTOCATSUCSJPCT-UHFFFAOYSA-N

LogP

2.04542

Topological Polar Surface Area

36.92 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

263

Synonyms & References

English

SCHEMBL481979
MFCD24849701
FT-0694093
A851910
F19677
AKOS016012558
J-511118
CS-0455854
80407-68-7
DTXSID80581645
Benzonitrile, 3,4-bis(2-methoxyethoxy)-; 3,4-Bis(2-methoxyethoxy)benzonitrile; 3,4-(2-Methoxyethoxy)benzonitrile; 3,4-Di(2-methoxyethoxy)benzonitrile
AMY22068
3,4-Bis(2-methoxyethoxy)benzonitrile
3,4-Bis-(2-methoxy-ethoxy)-benzonitrile
3-4-BIS(2-METHOXYETHOXY) CYANOPHENYL
(+)-Corey Lactone Diol
3,4-bis(2-methoxyethoxy)-benzonitrile
QC-8961

MDL Number

MFCD24849701

Customs Code

2926909090

FAQ

What regulatory guidelines apply to 3,4-Bis(2-methoxyethoxy)benzonitrile (CAS: 80407-68-7)?

3,4-Bis(2-methoxyethoxy)benzonitrile (CAS: 80407-68-7) falls under the regulatory purview of the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), the European Union's REACH regulations, and the US EPA. It is classified as a hazardous chemical based on its flammability and potential to harm the aquatic environment. Regulatory compliance includes proper labeling, storage, and disposal as per GHS and REACH guidelines. Additionally, the FDA regulates its use in pharmaceutical applications.

Are there alternatives to 3,4-Bis(2-methoxyethoxy)benzonitrile (CAS: 80407-68-7) in synthesis?

Alternative reagents to 3,4-Bis(2-methoxyethoxy)benzonitrile include 2-methoxyethanol, anisole, and phenyl nitrile. These alternatives can be used in similar synthetic reactions, offering varying degrees of solubility and reactivity. However, the choice of alternative depends on the specific reaction conditions and desired product properties.

What is the market or research trend for 3,4-Bis(2-methoxyethoxy)benzonitrile (CAS: 80407-68-7)?

Market trends for 3,4-Bis(2-methoxyethoxy)benzonitrile (CAS: 80407-68-7) indicate increasing demand in the pharmaceutical and organic synthesis industries. Research trends focus on its use as a precursor in the synthesis of various pharmaceutical compounds, particularly in the development of new drugs. Additionally, there is ongoing research into its environmental impact and safer alternatives.

How should waste containing 3,4-Bis(2-methoxyethoxy)benzonitrile (CAS: 80407-68-7) be handled?

Waste containing 3,4-Bis(2-methoxyethoxy)benzonitrile (CAS: 80407-68-7) should be collected in appropriate containers and labeled accordingly. Incineration is a common method for disposal, but professional waste disposal services should be utilized to ensure compliance with regulatory standards. Environmental protection measures include minimizing the release of the compound into the environment and following all local and national waste management regulations.