2,5,6-Trichloronicotinic acid

Basic Information

View in Editor

CAS Number

54718-39-7

Molecular Formula

C6H2Cl3NO2

Molecular Weight

226.45 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Boiling Point

359.1℃ at 760 mmHg

Density

1.728

SMILES

View in Editor

Clc1cc(C(=O)O)c(nc1Cl)Cl

InChI

InChI=1S/C6H2Cl3NO2/c7-3-1-2(6(11)12)4(8)10-5(3)9/h1H,(H,11,12)

InChIKey

XMJRZCYSCMZVJQ-UHFFFAOYSA-N

LogP

2.74

Topological Polar Surface Area

50.19 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

190

Synonyms & References

English

2,5,6-Trichloronicotinic acid
2,5,6-Trichloro-3-pyridinecarboxylic acid
2,5,6-trichloropyridine-3-carboxylic acid
2-5-6-Trichloronicotinic-acid
3-PYRIDINECARBOXYLIC ACID, 2,5,6-TRICHLORO-
2,3,6-Trichlor-nicotinsaeure
2,5,6-Trichlornicotinsaeure
2,5,6-trichloro-pyridine-3-carboxylic acid
2,5,6-Trichlorpyridin-3-carbonsaeure
XMJRZCYSCMZVJQ-UHFFFAOYSA-N
FCH1333868
AX8236969
AB0056750
3-Pyridinecarboxylic acid,2,5,6-trichloro-
Z4869
ST24021529
2,5,6-tetrachloropyridine

MDL Number

MFCD02070018

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 2,5,6-Trichloronicotinic acid (CAS: 54718-39-7)?

2,5,6-Trichloronicotinic acid (CAS: 54718-39-7) is a crystalline solid with a molecular weight of 222.03 g/mol. It has a solubility of 12.5 g/L in water at 25°C. Chemically, it is highly reactive, particularly towards nucleophilic substitution reactions. It is slightly soluble in ethanol and insoluble in benzene.

How is 2,5,6-Trichloronicotinic acid (CAS: 54718-39-7) typically synthesized?

2,5,6-Trichloronicotinic acid is typically synthesized by the chlorination of nicotinic acid using thionyl chloride as the chlorinating agent. The reaction is carried out in a solvent like dimethylformamide (DMF) under reflux conditions, yielding the target compound with high selectivity and good yield.

What industries use 2,5,6-Trichloronicotinic acid (CAS: 54718-39-7)?

2,5,6-Trichloronicotinic acid finds applications in the pharmaceutical industry for the synthesis of certain drug intermediates. It is also used in the polymer industry for the production of special polymers, in sensor technology for the development of specific chemical sensors, and in the semiconductor industry for various analytical purposes.

What precautions should be taken when handling 2,5,6-Trichloronicotinic acid (CAS: 54718-39-7)?

When handling 2,5,6-Trichloronicotinic acid (CAS: 54718-39-7), wear appropriate personal protective equipment (PPE), including gloves, goggles, and a respirator. Work in a well-ventilated area or fume hood. Store in a cool, dry place, away from incompatible materials. In case of spill, use appropriate spill containment materials and follow SDS guidelines for disposal.