Methyl 2-chloroisonicotinate

Basic Information

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CAS Number

58481-11-1

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 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

32.0 to 36.0 deg-C

Boiling Point

70°C/0.1mmHg

Density

1.294

Refractive Index

1.531

SMILES

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COC(=O)C1=CC(=NC=C1)Cl

InChI

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

InChIKey

KKOUHTMLFUAAGG-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

H318 Causes serious eye damage
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

Sensitive to heat & air

Synonyms & References

English

SY016465
CS-W004976
2-CHLOROPYRIDINE-4-CARBOXYLIC ACID METHYL ESTER
Methyl 2-chloropyridine-4-carboxylate
2-Chloro-4-pyridinecarboxylic Acid Methyl Ester
Methyl 2-chloropyridine-4-carboxylate, 97%
Methyl2-chloroisonicotinate
M2164
SCHEMBL390165
2-chloroisonicotinic acid, methyl ester
AM20061345
MFCD01765409
DTXSID80371644
2-Chloroisonicotinic Acid Methyl Ester
4Y-0718
methyl-2-chloropyridine-4-carboxylate
58481-11-1
PB12260
methyl 2-chloro-pyridine-4-carboxylate
methyl 2-chloro-4-pyridinecarboxylate
KKOUHTMLFUAAGG-UHFFFAOYSA-N
A8278
4-PYRIDINECARBOXYLIC ACID, 2-CHLORO-, METHYL ESTER
2-chloro-isonicotinic acid methyl ester
F0001-1526
AKOS001427853
Z210239990
EN300-28729
Methyl 2-chloroisonicotinate
4-Pyridinecarboxylic acid,2-chloro-,methyl ester
methyl-2-chloroisonicotinate

MDL Number

MFCD01765409

Customs Code

2933399090

FAQ

What are the physical and chemical properties of Methyl 2-chloroisonicotinate (CAS: 58481-11-1)?

Methyl 2-chloroisonicotinate (CAS: 58481-11-1) is a crystalline compound with a molecular weight of approximately 169.62 g/mol. It is sparingly soluble in water but soluble in organic solvents like ethanol and acetone. This compound is known for its moderate reactivity, particularly towards nucleophiles. It has a melting point of around 79-81°C and a boiling point of about 215-217°C. It is stable under normal storage conditions but should be handled with care due to its reactive nature.

How is Methyl 2-chloroisonicotinate (CAS: 58481-11-1) typically synthesized?

Methyl 2-chloroisonicotinate (CAS: 58481-11-1) is typically synthesized by the reaction of methyl isonicotinate with hydrochloric acid. The process involves the substitution of the hydroxyl group with a chlorine atom. Commonly, this reaction is carried out in the presence of a mild base like sodium hydroxide to improve selectivity and yield. The overall reaction is highly exothermic, and proper temperature control is essential to achieve the desired product.

What industries use Methyl 2-chloroisonicotinate (CAS: 58481-11-1)?

Methyl 2-chloroisonicotinate (CAS: 58481-11-1) finds applications in various industries. It is used in the pharmaceutical sector for the synthesis of certain drugs, particularly those involving isonicotinic acid derivatives. In the polymer industry, it serves as a precursor for the production of certain types of polymeric materials. Additionally, it is employed in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling Methyl 2-chloroisonicotinate (CAS: 58481-11-1)?

When handling Methyl 2-chloroisonicotinate (CAS: 58481-11-1), it is crucial to follow strict safety protocols. Always wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize exposure to the compound. Spills should be cleaned up promptly using appropriate absorbents, and proper disposal methods should be followed. Always refer to a Material Safety Data Sheet (MSDS/SDS) for detailed safety information and emergency procedures.