2-Chloro-5,6-dimethylnicotinic acid

Basic Information

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CAS Number

120003-75-0

Molecular Formula

C8H8ClNO2

Molecular Weight

185.61 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

Melting Point

170-173°C

SMILES

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Cc1cc(C(=O)O)c(Cl)nc1C

InChI

InChI=1S/C8H8ClNO2/c1-4-3-6(8(11)12)7(9)10-5(4)2/h3H,1-2H3,(H,11,12)

InChIKey

JGTHNXDWSRAIAT-UHFFFAOYSA-N

LogP

2.05004

Topological Polar Surface Area

50.19 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

186

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

2-Chloro-5,6-dimethylnicotinic acid
2-Chloro-5,6-dimethyl-nicotinic acid
2-chloro-5,6-dimethylpyridine-3-carboxylic acid
3-Pyridinecarboxylic acid, 2-chloro-5,6-dimethyl-
3-Pyridinecarboxylic acid,2-chloro-5,6-dimethyl
TIMTEC-BB SBB010728
2-chloro-5,6-diMethylpyridin-3-carboxylic acid
2-Chloro-5,6-diMethyl-3-pyridinecarboxylic Acid
2-Chloro-5,6-dimethyl Nicotinic Acid
2-Chloro-5,6-dimethyl-pyridine-3-carboxylic acid
BAS 10144300
HMS1703G03
BCP21578
FCH857733
SBB010728
RW2710
RP03403
AK-7

MDL Number

MFCD07801116

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 2-Chloro-5,6-dimethylnicotinic acid (CAS: 120003-75-0)?

2-Chloro-5,6-dimethylnicotinic acid is a white crystalline solid with a molecular weight of approximately 214.64 g/mol. It is slightly soluble in water and more soluble in organic solvents like ethanol and acetone. The compound is moderately reactive, particularly towards nucleophiles and bases. It can be stored at room temperature and should be protected from light to prevent degradation.

How is 2-Chloro-5,6-dimethylnicotinic acid (CAS: 120003-75-0) typically synthesized?

2-Chloro-5,6-dimethylnicotinic acid can be synthesized by the reaction of nicotinic acid with chloromethyl methyl ether in the presence of a base like sodium hydroxide. The synthesis typically involves a condensation reaction followed by a chlorination step. The yield is around 70-80%, and the reaction is carried out under mild conditions to ensure selectivity.

What industries use 2-Chloro-5,6-dimethylnicotinic acid (CAS: 120003-75-0)?

2-Chloro-5,6-dimethylnicotinic acid is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It is also utilized in the polymer industry for modifying polymer properties and in the sensor industry for developing gas sensors. Additionally, it has applications in semiconductor manufacturing for etching and cleaning processes.

What precautions should be taken when handling 2-Chloro-5,6-dimethylnicotinic acid (CAS: 120003-75-0)?

When handling 2-Chloro-5,6-dimethylnicotinic acid, it is crucial to wear appropriate personal protective equipment, including gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and heat sources. In case of a spill, it should be immediately cleaned up using appropriate absorbent materials. For more detailed safety information, refer to the Material Safety Data Sheet (MSDS).