2-Chloro-4-methoxynicotinaldehyde

Basic Information

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CAS Number

905563-79-3

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 Aldehydes

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

Boiling Point

295.5°C at 760 mmHg

SMILES

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COC1=C(C(=NC=C1)Cl)C=O

InChI

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

InChIKey

BDKGCVNNWDEUKG-UHFFFAOYSA-N

LogP

1.5560999999999998

Topological Polar Surface Area

39.19 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

142

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Synonyms & References

English

2-Chloro-4-methoxynicotinaldehyde
2-chloro-4-methoxy pyridine N-oxide
Pyridine, 2-chloro-4-methoxy-, 1-oxide
2-chloro-4-methoxypyridine-3-carbaldehyde
CTK1A8823
2-chloro-4-methoxy-pyridine-3-carbaldehyde
AGN-PC-00PTFN
2-chloro-4-methoxypyridine 1-oxide
2-chloro-4-methoxypyridine-1-oxide
2-Chlor-4-methoxy-pyridin-N-oxid
AK157270
3-Pyridinecarboxaldehyde, 2-chloro-4-methoxy-
BDKGCVNNWDEUKG-UHFFFAOYSA-N
FCH1157607
AX8276650
V8930
2-Chloro-4-methoxypyridin-3-ylcarboxaldehyde
2-Chloro-4-methoxy-3-pyridinecarboxaldehyde (ACI)
2-Chloro-4-methoxypyridine-3-carbaldehyde
DB-122092
SY078245
Z1255417696
2-CHLORO-4-METHOXY-PYRIDINE-3-CARBALDEHYDE
AC-33319
905563-79-3
MFCD15474989
EN300-2961257
DS-9058
SB39768
F17477
CS-0082154

MDL Number

MFCD15474989

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 2-Chloro-4-methoxynicotinaldehyde (CAS: 905563-79-3)?

2-Chloro-4-methoxynicotinaldehyde is a crystalline solid with a molecular weight of approximately 185.65 g/mol. It has a solubility of about 1.5 g/L in water and is slightly soluble in common organic solvents like ethanol and acetone. The compound is moderately reactive toward nucleophiles and reduces under basic conditions. It is also prone to hydrolysis in aqueous solutions.

How is 2-Chloro-4-methoxynicotinaldehyde (CAS: 905563-79-3) typically synthesized?

2-Chloro-4-methoxynicotinaldehyde can be synthesized via the reaction of 4-hydroxy-2-chloronicotinaldehyde with methanol in the presence of a catalytic amount of phosphoric acid. The yield is typically around 85%, and the reaction is highly selective. The product can be purified by recrystallization from water or suitable organic solvents.

What industries use 2-Chloro-4-methoxynicotinaldehyde (CAS: 905563-79-3)?

2-Chloro-4-methoxynicotinaldehyde is primarily used in pharmaceuticals for the synthesis of various drug intermediates. It is also utilized in the production of certain dyes and pigments due to its chromophoric properties. Additionally, it has applications in the field of analytical chemistry as a reagent in spectroscopic studies and as a component in certain sensors.

What precautions should be taken when handling 2-Chloro-4-methoxynicotinaldehyde (CAS: 905563-79-3)?

Proper handling of 2-Chloro-4-methoxynicotinaldehyde requires the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to avoid inhalation of vapors. Spills should be cleaned up with caution, using absorbent materials, and the area should be flushed with water. Always refer to the Material Safety Data Sheet (MSDS/SDS) for detailed safety guidelines and emergency procedures.