2-Chloro-4,6-dimethylnicotinic acid

Basic Information

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CAS Number

66662-48-4

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

Boiling Point

342.3℃ at 760 mmHg

Density

1.328

Flash Point

160.8 °C

SMILES

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CC1=CC(=NC(=C1C(=O)O)Cl)C

InChI

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

InChIKey

CXNWZXGXVPYAST-UHFFFAOYSA-N

LogP

2.0500399999999996

Topological Polar Surface Area

50.19 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

186

Synonyms & References

English

SR-01000521541
SCHEMBL3340047
2-chloro-4,6-dimethylpyridine-3-carboxylic acid
EN300-14786
2-Chloro-4,6-dimethyl-3-pyridinecarboxylic acid
66662-48-4
AG-205/12288537
2-Chloro-4,6-dimethyl-3-pyridinecarboxylicacid
2-chloro-4,6-dimethylnicotinic acid, AldrichCPR
Z104442648
2-Chloro-4 pound not6-dimethylnicotinic acid
MFCD02110082
2-Chloro-4,6-dimethylnicotinic acid #
HMS2731A13
AC-5915
Pyridine-3-carboxylic acid, 2-chloro-4,6-dimethyl-
SR-01000521541-1
CHEMBL1567083
BS-13572
DTXSID20343643
2-Chloro-4,6-dimethyl-nicotinic acid
AKOS000270550
FT-0660344
HMS1778P11
2-Chloro-4,6-dimethylnicotinic acid
MLS000760879
CS-0153159
4,6-dimethyl-2-chloronicotinic acid
2-Chloro-4,6-dimethylnicotinicacid
A21556
F2130-0051

MDL Number

MFCD02110082

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 2-Chloro-4,6-dimethylnicotinic acid (CAS: 66662-48-4)?

2-Chloro-4,6-dimethylnicotinic acid is a crystalline solid with a molecular weight of 226.65 g/mol. It is sparingly soluble in water but more soluble in organic solvents like ethanol and acetone. Chemically, it is moderately reactive and can undergo substitution reactions. It has a melting point of 212-215°C and a boiling point of 324-326°C.

How is 2-Chloro-4,6-dimethylnicotinic acid (CAS: 66662-48-4) typically synthesized?

2-Chloro-4,6-dimethylnicotinic acid can be synthesized via the condensation of 2-chloro-4,6-dimethylpyridine with acetic anhydride. The reaction is catalyzed by sulfuric acid, and the yield is typically around 75-80%. The selectivity for the desired product is high, and byproducts can be minimized through careful reaction conditions.

What industries use 2-Chloro-4,6-dimethylnicotinic acid (CAS: 66662-48-4)?

2-Chloro-4,6-dimethylnicotinic acid is used in the pharmaceutical industry for the synthesis of certain drugs. It also finds application in the chemical industry for the production of other derivatives. Due to its reactivity, it is also used in the development of sensors and as a reactant in the synthesis of materials for semiconductors.

What precautions should be taken when handling 2-Chloro-4,6-dimethylnicotinic acid (CAS: 66662-48-4)?

When handling 2-Chloro-4,6-dimethylnicotinic acid, it is important to wear appropriate personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. Store it in a well-ventilated fume hood or a sealed container to prevent exposure to air and light. In case of spill, handle according to the Material Safety Data Sheet (MSDS) or Safety Data Sheet (SDS) and contact safety personnel immediately. Never ingest or inhale the compound.