4'-(Heptyloxy)-4-biphenylcarbonitrile

Basic Information

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CAS Number

52364-72-4

Molecular Formula

C20H23NO

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

54-57 °C

Boiling Point

442.9°C at 760 mmHg

SMILES

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CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H23NO/c1-2-3-4-5-6-15-22-20-13-11-19(12-14-20)18-9-7-17(16-21)8-10-18/h7-14H,2-6,15H2,1H3

InChIKey

JPBFKTCKZLMJED-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

329

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

DS-6478
4-Heptyloxycyanodiphenyl
EINECS 257-876-4
D 107
JPBFKTCKZLMJED-UHFFFAOYSA-N
4'-(Heptyloxy)-(1,1'-biphenyl)-4-carbonitrile
4'-(heptyloxy)biphenyl-4-carbonitrile
4-heptyloxy-4-cyanobiphenyl
4'-(Heptyloxy)[1,1'-biphenyl]-4-carbonitrile #
A829046
4-(4-Heptyloxyphenyl)benzonitrile
4'-Heptyloxy-4-cyanobiphenyl
AKOS001483290
Ro CB 5324
4-(4-heptoxyphenyl)benzonitrile
4-heptyloxy-4'-cyanobiphenyl
4-Cyano-4'-heptyloxybiphenyl
7OCB
4'-Heptyloxy-4-biphenylcarbonitrile
4'-(Heptyloxy)-4-biphenylcarbonitrile
4-Cyano-4'-heptoxybiphenyl
7COB
4'-(Heptyloxy)(1,1'-biphenyl)-4-carbonitrile
52364-72-4
4-Heptyloxy-[1,1'-biphenyl]-4'-carbonitrile
4 inverted exclamation mark -(Heptyloxy)-[1,1 inverted exclamation mark -biphenyl]-4-carbonitrile
D81859
4'-(Heptyloxy)-[1,1'-biphenyl]-4-carbonitrile
MFCD00134146
(1,1'-Biphenyl)-4-carbonitrile, 4'-(heptyloxy)-
NS00032492

MDL Number

MFCD00134146

FAQ

What regulatory guidelines apply to 4'-(Heptyloxy)-4-biphenylcarbonitrile (CAS: 52364-72-4)?

4'-(Heptyloxy)-4-biphenylcarbonitrile (CAS: 52364-72-4) falls under various regulatory guidelines such as GHS (Globally Harmonized System of Classification and Labeling of Chemicals) for hazardous material classification. In the European Union, it is subject to REACH (Registration, Evaluation, Authorization, and Restriction of Chemicals) regulations. FDA and EPA have specific requirements for handling and use in pharmaceutical and industrial applications respectively. Compliance with these regulations is crucial for safe handling and disposal.

Are there alternatives to 4'-(Heptyloxy)-4-biphenylcarbonitrile (CAS: 52364-72-4) in synthesis?

Alternatives to 4'-(Heptyloxy)-4-biphenylcarbonitrile (CAS: 52364-72-4) include other carbonitriles with different functional groups or substituents. Isomers like 4-(Heptyloxy)-2-biphenylcarbonitrile or analogs with different alkyl chains can serve as alternatives. Common reagents such as phenylacetonitrile or hexanoyl chloride can be used as substitutes in synthesis, depending on the desired properties of the final product.

What is the market or research trend for 4'-(Heptyloxy)-4-biphenylcarbonitrile (CAS: 52364-72-4)?

The market trend for 4'-(Heptyloxy)-4-biphenylcarbonitrile (CAS: 52364-72-4) is driven by its use in pharmaceutical and material science applications. Research is focusing on its potential as a drug intermediate or in developing new materials. Price trends are influenced by supply chain dynamics and demand from industries like pharmaceuticals, electronics, and polymer science. Emerging research in customized drug formulations and advanced material development shows promising growth potential.

How should waste containing 4'-(Heptyloxy)-4-biphenylcarbonitrile (CAS: 52364-72-4) be handled?

Waste containing 4'-(Heptyloxy)-4-biphenylcarbonitrile (CAS: 52364-72-4) should be collected in appropriate containers and stored in a well-ventilated area away from ignition sources. Incineration is a common method for disposal, but professional waste disposal services are recommended to ensure compliance with local regulations. Environmental protection measures include monitoring for any releases and following best practices to minimize the impact on the environment. Always consult the Material Safety Data Sheet (MSDS) for specific disposal procedures.