Methyl 2-chloronicotinate

Basic Information

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CAS Number

40134-18-7

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 Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

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

122-124 ℃

Boiling Point

70°C/0.1mmHg

Refractive Index

n20/D 1.537

SMILES

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COC(=O)C1=C(N=CC=C1)Cl

InChI

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

InChIKey

MYGAJZBZLONIBZ-UHFFFAOYSA-N

LogP

1.5215999999999998

Topological Polar Surface Area

39.19 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

151

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

Synonyms & References

English

AC-14858
2-chloro-3-pyridinecarboxylic acid, methyl ester
SCHEMBL624343
EINECS 254-805-9
2-Chloronicotinic Acid Methyl Ester
AN-584/42206200
3-PYRIDINECARBOXYLIC ACID, 2-CHLORO-, METHYL ESTER
FT-0639613
DTXSID80193161
AKOS001407647
AM20051154
A23890
InChI=1/C7H6ClNO2/c1-11-7(10)5-3-2-4-9-6(5)8/h2-4H,1H3
PS-4875
Z19818624
AB9671
SY018350
M2165
40134-18-7
MYGAJZBZLONIBZ-UHFFFAOYSA-
MYGAJZBZLONIBZ-UHFFFAOYSA-N
Methyl 2-chloropyridine-3-carboxylate
MFCD01318629
PB12739
NS00030727
J-521996
Methyl 2-chloronicotinate
Methyl 2-chloropyridine-3-carboxylate, 97%
2-chloro-pyridine-3-carboxylic acid methyl ester
CS-W022806
methyl 2chloro-3-pyridinecarboxylate

MDL Number

MFCD01318629

Customs Code

2933399090

FAQ

What are the physical and chemical properties of Methyl 2-chloronicotinate (CAS: 40134-18-7)?

Methyl 2-chloronicotinate is a solid with a crystalline form. Its molecular weight is approximately 171.68 g/mol. It has a low water solubility and is slightly soluble in organic solvents. Reactivity is moderate, showing some acidic behavior, and it is stable under normal conditions but can react with strong bases. It has a pungent odor and is used in various applications due to its chemical stability and reactivity.

How is Methyl 2-chloronicotinate (CAS: 40134-18-7) typically synthesized?

Methyl 2-chloronicotinate is typically synthesized by chlorinating nicotinic acid with methylamine. The reaction is carried out in the presence of a catalyst such as aluminum chloride, resulting in a high yield. The reaction is selective, and the product is isolated by recrystallization. This process is efficient and can be scaled up for industrial production.

What industries use Methyl 2-chloronicotinate (CAS: 40134-18-7)?

Methyl 2-chloronicotinate finds applications in the pharmaceutical industry as an intermediate for the synthesis of various drugs. It is also used in the polymer industry for the modification of polymers. Additionally, it is employed in the production of sensors and as a reagent in semiconductor manufacturing processes.

What precautions should be taken when handling Methyl 2-chloronicotinate (CAS: 40134-18-7)?

When handling Methyl 2-chloronicotinate, it is essential to wear appropriate personal protective equipment (PPE), including gloves and goggles. Store the compound in a fume hood to minimize inhalation risks. In case of a spill, avoid direct contact and clean up using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and safety measures.