2-Chloronicotinoyl chloride

Basic Information

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CAS Number

49609-84-9

Molecular Formula

C6H3Cl2NO

Molecular Weight

176 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

38.0 to 42.0 deg-C

Boiling Point

120°C/10mmHg

Refractive Index

1.5680 (estimate)

SMILES

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

InChI

InChI=1S/C6H3Cl2NO/c7-5-4(6(8)10)2-1-3-9-5/h1-3H

InChIKey

RXTRRIFWCJEMEL-UHFFFAOYSA-N

LogP

2.114

Topological Polar Surface Area

29.96 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

140

Safety Information

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GHS Hazard Pictograms

H314

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Sensitiveness

Moisture Sensitive

Synonyms & References

English

2-Chloronicotinylchloride
CS-10580
2-Chloropyridine-3-carbonyl chloride, 98%
3-Pyridinecarbonyl chloride, 2-chloro-
49609-84-9
AC-5010
BB 0218403
SY001379
F10901
2-chloronicotinoylchloride
FT-0611979
2-chloro-3-pyridinecarboxylic acid chloride
EN300-36788
InChI=1/C6H3Cl2NO/c7-5-4(6(8)10)2-1-3-9-5/h1-3
2-chloronicotinic acid chloride
2-Chloronicotinyl chloride
R2GYX48BG7
2-chloro-nicotinoyl chloride
2-Chloronicotinoyl chloride
SCHEMBL105459
2-chloro-3-pyridinylcarbonyl chloride
2-Chloropyridine-3-carbonyl Chloride
2-chloro-3-pyridinecarbonyl chloride
AM100875
DTXSID80379089
2-chloro nicotinic acid chloride
MFCD00051677
chloronicotinoyl chloride
C1604
AKOS005721021
BP-10808

MDL Number

MFCD00051677

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 2-Chloronicotinoyl chloride (CAS: 49609-84-9)?

2-Chloronicotinoyl chloride is a crystalline solid with a molecular weight of approximately 170.57 g/mol. It has a high solubility in organic solvents such as dichloromethane and acetone. Chemically, it is a reactive compound, showing strong electrophilic character and readily participating in nucleophilic substitution reactions. It is also known for its acidic nature, making it suitable for various synthetic transformations.

How is 2-Chloronicotinoyl chloride (CAS: 49609-84-9) typically synthesized?

2-Chloronicotinoyl chloride is often synthesized by reacting nicotinic acid with thionyl chloride in the presence of an appropriate base, such as pyridine. This process involves the displacement of the hydroxyl group in nicotinic acid by chlorine, followed by the release of hydrogen chloride. The reaction is typically carried out in an inert organic solvent like dichloromethane under mild conditions, ensuring high yield and selectivity.

What industries use 2-Chloronicotinoyl chloride (CAS: 49609-84-9)?

2-Chloronicotinoyl chloride finds applications in various industries, particularly in pharmaceuticals, where it serves as a valuable intermediate in the synthesis of drugs. It is also used in the production of organic polymers, where its reactivity is harnessed for chain initiation or functional group introduction. Additionally, it plays a role in the development of sensors and semiconductors due to its ability to form stable complexes with various metals.

What precautions should be taken when handling 2-Chloronicotinoyl chloride (CAS: 49609-84-9)?

Handling 2-Chloronicotinoyl chloride requires strict safety protocols. It should be stored in a cool, dry place away from direct sunlight and heat sources. Personal protective equipment (PPE) such as gloves, goggles, and a lab coat is essential to prevent skin and eye contact. The compound should be handled in a well-ventilated area or a fume hood to avoid inhalation of vapors. In case of a spill, immediately contain it using appropriate absorbents and follow the safety data sheet (SDS) guidelines for disposal. Emergency showers and eyewash stations should be readily accessible in the vicinity.