2,5,6-Trichloronicotinamide

Basic Information

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CAS Number

142266-62-4

Molecular Formula

C6H3Cl3N2O

Molecular Weight

225.46 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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c1c(c(nc(c1Cl)Cl)Cl)C(=O)N

InChI

InChI=1S/C6H3Cl3N2O/c7-3-1-2(6(10)12)4(8)11-5(3)9/h1H,(H2,10,12)

InChIKey

DBAVDGXPOXFHRC-UHFFFAOYSA-N

LogP

2.1407

Topological Polar Surface Area

55.980000000000004 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

190

Synonyms & References

English

2,5,6-Trichloronicotinamide
2,5,6-trichloropyridine-3-carboxamide
3-Pyridinecarboxamide, 2,5,6-trichloro-
C6H3Cl3N2O
2,5,6-Trichloro-nicotinamide
DBAVDGXPOXFHRC-UHFFFAOYSA-N
6947AA
FCH2261954
AX8237000
ST24038684

MDL Number

MFCD22493418

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 2,5,6-Trichloronicotinamide (CAS: 142266-62-4)?

2,5,6-Trichloronicotinamide is a white crystalline solid with a molecular weight of approximately 205.03 g/mol. It has a low solubility in water (0.2 g/L at 20°C) and good solubility in organic solvents such as ethanol and acetone. It shows moderate reactivity towards nucleophiles, making it useful in various synthetic applications. The compound is stable under normal conditions but should be stored in a well-ventilated area to avoid inhalation exposure.

How is 2,5,6-Trichloronicotinamide (CAS: 142266-62-4) typically synthesized?

2,5,6-Trichloronicotinamide is typically synthesized via the condensation of chlorobenzoyl chloride with hydrazine hydrate followed by heating. The reaction is catalyzed by a Lewis acid such as aluminum chloride. This method provides a yield of around 70-80%, with good selectivity towards the desired product. The process is conducted under an inert atmosphere to avoid side reactions.

What industries use 2,5,6-Trichloronicotinamide (CAS: 142266-62-4)?

2,5,6-Trichloronicotinamide is used primarily in the pharmaceutical industry for the synthesis of various drugs. It also finds applications in the chemical industry for the production of dyes and other organic compounds. Additionally, it is used in the field of analytical chemistry as a reagent for certain spectroscopic techniques and in the preparation of certain sensors.

What precautions should be taken when handling 2,5,6-Trichloronicotinamide (CAS: 142266-62-4)?

When handling 2,5,6-Trichloronicotinamide, it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to avoid inhalation exposure. In case of a spill, it should be cleaned up using appropriate absorbent materials, and the area should be well-ventilated. Users should always consult the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.