4-(1H-1,2,3-Triazol-1-yl)aniline

Basic Information

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CAS Number

16279-88-2

Molecular Formula

C8H8N4

Molecular Weight

160.18 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

Physical State

White to Yellow Solid

SMILES

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c1cc(ccc1N)n2ccnn2

InChI

InChI=1S/C8H8N4/c9-7-1-3-8(4-2-7)12-6-5-10-11-12/h1-6H,9H2

InChIKey

VBRMIWOLUCKNTN-UHFFFAOYSA-N

LogP

0.8494999999999999

Topological Polar Surface Area

56.730000000000004 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

4-(1H-1,2,3-triazol-1-yl)Benzenamine
4-(1H-1,2,3-Triazole-1-yl)aniline
4-(triazol-1-yl)aniline

MDL Number

MFCD09048597

FAQ

What are the physical and chemical properties of 4-(1H-1,2,3-Triazol-1-yl)aniline (CAS: 16279-88-2)?

4-(1H-1,2,3-Triazol-1-yl)aniline (CAS: 16279-88-2) is a white crystalline solid with a molecular weight of approximately 183.21 g/mol. It is slightly soluble in water but soluble in most organic solvents. The compound is known for its reactivity, particularly in aromatic substitution reactions and coupling reactions.

How is 4-(1H-1,2,3-Triazol-1-yl)aniline (CAS: 16279-88-2) typically synthesized?

4-(1H-1,2,3-Triazol-1-yl)aniline (CAS: 16279-88-2) can be synthesized via a Friedel-Crafts alkylation of aniline with a 1,2,3-triazole derivative. Common catalysts include aluminum chloride, and the reaction typically yields a product with high selectivity and good yield under mild conditions.

What industries use 4-(1H-1,2,3-Triazol-1-yl)aniline (CAS: 16279-88-2)?

4-(1H-1,2,3-Triazol-1-yl)aniline (CAS: 16279-88-2) is primarily used in the pharmaceutical industry for the synthesis of various drugs. It is also utilized in the polymer industry as a precursor for functional polymers and in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 4-(1H-1,2,3-Triazol-1-yl)aniline (CAS: 16279-88-2)?

When handling 4-(1H-1,2,3-Triazol-1-yl)aniline (CAS: 16279-88-2), it is essential to wear appropriate personal protective equipment (PPE) such as gloves and goggles. The compound should be used in a well-ventilated area or a fume hood to avoid inhaling its vapors. Spills should be cleaned up using appropriate methods, and safety data sheets (SDS) should be consulted for detailed spill and emergency procedures.