4-(3-Pyridinylmethyl)aniline

Basic Information

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CAS Number

85666-15-5

Molecular Formula

C12H12N2

Molecular Weight

184.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

117-119 °C

Boiling Point

352.4±22.0 °C(Predicted)

Density

1.121±0.06 g/cm3(Predicted)

SMILES

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Nc1ccc(cc1)Cc1cccnc1

InChI

InChI=1S/C12H12N2/c13-12-5-3-10(4-6-12)8-11-2-1-7-14-9-11/h1-7,9H,8,13H2

InChIKey

XYZKXQHSXCNURY-UHFFFAOYSA-N

LogP

2.2546

pKa

5.41±0.10(Predicted)

Topological Polar Surface Area

38.91 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Synonyms & References

English

4-(Pyridin-3-ylMethyl)aniline
IFLAB-BB F2108-0078
4-PYRIDIN-3-YLMETHYL-PHENYLAMINE
Benzenamine, 4-(3-pyridinylmethyl)-
4-(pyridin-3-ylmethyl)aniline
4-Pyridin-3-ylmethyl-phenylamine

MDL Number

MFCD08447085

FAQ

What regulatory guidelines apply to 4-(3-Pyridinylmethyl)aniline (CAS: 85666-15-5)?

4-(3-Pyridinylmethyl)aniline (CAS: 85666-15-5) falls under the classification of a hazardous chemical. It is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a Category 4 skin corrosion/irritation and category 4 serious eye damage/eye irritation. For commercial and industrial use, it must comply with REACH regulations in the European Union and EPA regulations in the United States. FDA guidelines for handling and storage in a laboratory setting also apply.

Are there alternatives to 4-(3-Pyridinylmethyl)aniline (CAS: 85666-15-5) in synthesis?

There are several alternatives to 4-(3-Pyridinylmethyl)aniline (CAS: 85666-15-5) that can be used in synthesis, including 4-(2-pyridinylmethyl)aniline, 4-(4-pyridinylmethyl)aniline, and related anilines. These alternatives can serve as effective substitutes depending on the specific reaction conditions and desired product properties. Common alternative reagents such as pyridine derivatives and aniline itself are often considered.

What is the market or research trend for 4-(3-Pyridinylmethyl)aniline (CAS: 85666-15-5)?

The market for 4-(3-Pyridinylmethyl)aniline (CAS: 85666-15-5) is primarily driven by its applications in organic synthesis, particularly in the preparation of pharmaceuticals and dyes. Research trends are focused on its use as a building block for developing novel materials and drugs. Recent studies indicate a growing interest in its use in the development of antitumor and antiviral agents, as well as in the field of polymer chemistry.

How should waste containing 4-(3-Pyridinylmethyl)aniline (CAS: 85666-15-5) be handled?

Waste containing 4-(3-Pyridinylmethyl)aniline (CAS: 85666-15-5) should be collected in appropriate containers, labeled with the hazard symbol, and disposed of through a professional waste disposal service. Incineration is a common method for disposal, but it must be conducted in an environmentally controlled facility to prevent air pollution. Alternatively, chemical treatment or biodegradation methods can be employed to neutralize the chemical before final disposal. Always consult local regulations for specific disposal requirements.