2-Chloro-3-methylisonicotinic acid

Basic Information

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CAS Number

133928-73-1

Molecular Formula

C7H6ClNO2

Molecular Weight

171.58 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

SMILES

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Cc1c(ccnc1Cl)C(=O)O

InChI

InChI=1S/C7H6ClNO2/c1-4-5(7(10)11)2-3-9-6(4)8/h2-3H,1H3,(H,10,11)

InChIKey

JYVLCHBMNCMRBO-UHFFFAOYSA-N

LogP

1.74162

Topological Polar Surface Area

50.19 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

163

Synonyms & References

English

2-chloro-3-methyl-4-Pyridinecarboxylic acid
2-Chloro-3-methylisonicotinic acid
2-chloro-3-methylpyridine-4-carboxylic acid
JYVLCHBMNCMRBO-UHFFFAOYSA-N
6142AA
AB71250
TRA0174647
FCH1147507
2-CHLORO-3-METHYLISONICOTINICACID
SY019118
AX8238668
AB0065624
2-Chloro-3-methyl-4-pyridinecarboxylicAcid
ST24022122
4

MDL Number

MFCD16610679

FAQ

What are the physical and chemical properties of 2-Chloro-3-methylisonicotinic acid (CAS: 133928-73-1)?

2-Chloro-3-methylisonicotinic acid is a crystalline solid at room temperature with a molecular weight of approximately 186.62 g/mol. It is slightly soluble in water and has a pKa of about 2.4. The compound is moderately reactive, particularly towards nucleophiles, and can undergo substitution reactions easily.

How is 2-Chloro-3-methylisonicotinic acid (CAS: 133928-73-1) typically synthesized?

2-Chloro-3-methylisonicotinic acid is usually synthesized via the electrophilic substitution of 3-methylisonicotinic acid with chlorine. A common method involves reacting 3-methylisonicotinic acid with thionyl chloride in pyridine. The reaction is conducted at elevated temperatures to achieve good yields and good selectivity.

What industries use 2-Chloro-3-methylisonicotinic acid (CAS: 133928-73-1)?

2-Chloro-3-methylisonicotinic acid is used in the pharmaceutical industry for the synthesis of certain drugs. It also finds applications in the polymer industry for modifying properties of polymers and in sensor technology for developing chemical sensors. Additionally, it is utilized in the semiconductor industry for doping processes.

What precautions should be taken when handling 2-Chloro-3-methylisonicotinic acid (CAS: 133928-73-1)?

When handling 2-Chloro-3-methylisonicotinic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate materials, and the area should be thoroughly washed. Always consult the Material Safety Data Sheet (MSDS/SDS) for detailed safety information.