2-Chloro-6-methylisonicotinic acid

Basic Information

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CAS Number

25462-85-5

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

Melting Point

208-212 °C (dec.)

Boiling Point

399℃ at 760 mmHg

Density

1.39

Flash Point

195.1℃

Refractive Index

1.578

SMILES

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CC1=CC(=CC(=N1)Cl)C(=O)O

InChI

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

InChIKey

ZGZMEKHQIZSZOH-UHFFFAOYSA-N

LogP

1.74162

Topological Polar Surface Area

50.19 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

163

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

DTXSID30180147
MFCD00052830
SY006023
2-chloro-6-methyl-pyridine-4-carboxylic acid
CL0087
AKOS002683776
Z1203161820
AM20070279
BCP11279
25462-85-5
2-Chloro-6-methylpyridine-4-carboxylic acid
TS-02334
AC-7397
2-chloro-6-methyl-isonicotinic acid
CHEMBL5084875
FT-0611885
2-Chloro-6-methylisonicotinic acid
2-chloro-6-methyl4-pyridinecarboxylic acid
EN300-82851
DS-1441
SCHEMBL501900
CS-D0955
PB14103
2-Chloro-6-methylpyridine-4-carboxylic acid, 97%
2-Chloro-6-methylisonicotinicacid
2-CHLORO-6-METHYL-4-PYRIDINECARBOXYLIC ACID
2-CHLORO-6-METHYL-4-PYRIDINECARBOXYLICACID
2-chloro-6-methyl-pyridine4-carboxylic acid
C2486
J-508971
4-PYRIDINECARBOXYLIC ACID, 2-CHLORO-6-METHYL-

MDL Number

MFCD00052830

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 2-Chloro-6-methylisonicotinic acid (CAS: 25462-85-5)?

2-Chloro-6-methylisonicotinic acid is a white crystalline solid with a molecular weight of approximately 193.61 g/mol. It has a pKa of about 2.4 and is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. This compound is known for its high reactivity towards nucleophiles and can undergo substitution reactions. It is also prone to hydrolysis under basic conditions.

How is 2-Chloro-6-methylisonicotinic acid (CAS: 25462-85-5) typically synthesized?

2-Chloro-6-methylisonicotinic acid can be synthesized via the chlorination of 6-methylnicotinic acid. A common method involves the reaction of 6-methylnicotinic acid with thionyl chloride in the presence of a suitable solvent like dichloromethane. The reaction is typically carried out at room temperature, and the product can be purified by recrystallization from a suitable solvent.

What industries use 2-Chloro-6-methylisonicotinic acid (CAS: 25462-85-5)?

2-Chloro-6-methylisonicotinic acid is primarily used in the pharmaceutical industry as a precursor for the synthesis of various medicinal compounds. It is also relevant in the field of sensor technology for the development of selective gas sensors. Additionally, it has applications in the synthesis of certain polymers and as a reagent in analytical chemistry for its reactivity.

What precautions should be taken when handling 2-Chloro-6-methylisonicotinic acid (CAS: 25462-85-5)?

Proper handling of 2-Chloro-6-methylisonicotinic acid requires the use of personal protective equipment (PPE), including gloves, goggles, and a lab coat. It should be stored in a well-ventilated area away from direct sunlight and incompatible materials. Spills should be handled with care, and the area should be well-ventilated. Emergency eyewash and shower facilities should be available. For detailed safety information, refer to the Material Safety Data Sheet (MSDS/SDS) for this compound.