2-Benzoyl-1,2-dihydro-1-isoquinolinecarbonitrile

Basic Information

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CAS Number

844-25-7

Molecular Formula

C17H12N2O

Molecular Weight

249.31 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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c1ccc(cc1)C(=O)N2C=Cc3ccccc3C2C#N

InChI

InChI=1S/C17H12N2O/c18-12-16-15-9-5-4-6-13(15)10-11-19(16)17(20)14-7-2-1-3-8-14/h1-11,16H

InChIKey

HIRCCKPODGFADB-UHFFFAOYSA-N

LogP

3.8743000000000025

Topological Polar Surface Area

20.310000000000002 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Synonyms & References

English

2-Benzoyl-1,2-dihydroisoquinoline-1-carbonitrile
1-CYANO-2-BENZOYL-1,2-DIHYDROISOQUINOLINE
1-Isoquinolinecarbonitrile,2-benzoyl-1,2-dihydro-
2-benzoyl-1H-isoquinoline-1-carbonitrile
2-Benzoyl-cyano-1,2-Dihydroisoquinoline
2-Benzoyl-1,2-dihydro-1-isoquinolinecarbonitrile
2-Benzoyl-1,2-dihydro-isochinolin-1-carbonitril
2-benzoyl-1,2-dihydroisoquinaldonitrile
2-Benzoyl-1,2-dihydro-isoquinoline-1-carbonitrile
2-Benzoyl-1-cyano-1,2-dihydroisochinolin
2-benzoyl-1-cyano-1,2-dihydroisoquinoline
Isoquinaldonitrile, 2-benzoyl-1,2-dihydro- (6CI,7CI,8CI)
2-(Benzoyl)isoquinoline-1-carbonitrile
NSC 168210
NSC 25428

MDL Number

MFCD00024132

FAQ

What regulatory guidelines apply to 2-Benzoyl-1,2-dihydro-1-isoquinolinecarbonitrile (CAS: 844-25-7)?

2-Benzoyl-1,2-dihydro-1-isoquinolinecarbonitrile (CAS: 844-25-7) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for hazardous properties. It is also subject to the European Union’s Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) regulation. In the United States, it is managed by the EPA and FDA for environmental and food safety concerns, respectively. Compliance with these regulations is essential for handling and transporting the compound.

Are there alternatives to 2-Benzoyl-1,2-dihydro-1-isoquinolinecarbonitrile (CAS: 844-25-7) in synthesis?

Several alternatives to 2-Benzoyl-1,2-dihydro-1-isoquinolinecarbonitrile (CAS: 844-25-7) exist in synthesis, including 2-benzoylisoquinoline and other derivatives. These can serve similar functional roles in certain chemical reactions. Common alternative reagents include benzoyl chloride and other isoquinoline derivatives, which can be more readily available or have better reactivity in specific applications.

What is the market or research trend for 2-Benzoyl-1,2-dihydro-1-isoquinolinecarbonitrile (CAS: 844-25-7)?

The market and research trend for 2-Benzoyl-1,2-dihydro-1-isoquinolinecarbonitrile (CAS: 844-25-7) is driven by its use in pharmaceuticals and agrochemicals. Recent studies focus on its potential as an anticancer agent and herbicide. However, due to its toxicity and environmental concerns, there is increasing interest in safer alternatives. Research trends also include exploring its synthesis methods and improving its biodegradability.

How should waste containing 2-Benzoyl-1,2-dihydro-1-isoquinolinecarbonitrile (CAS: 844-25-7) be handled?

Waste containing 2-Benzoyl-1,2-dihydro-1-isoquinolinecarbonitrile (CAS: 844-25-7) should be handled by collecting it in appropriate containers and disposing of it through professional hazardous waste disposal services. Incineration is a common method for disposal, but it should be done in an environmentally controlled incinerator. Care must be taken to prevent environmental contamination and to comply with local waste disposal regulations. Proper personal protective equipment (PPE) should be worn during handling and disposal operations to ensure safety.