2-Chloro-3-methylisonicotinaldehyde

Basic Information

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CAS Number

790696-96-7

Molecular Formula

C7H6ClNO

Molecular Weight

155.58 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CC1=C(C=CN=C1Cl)C=O

InChI

InChI=1S/C7H6ClNO/c1-5-6(4-10)2-3-9-7(5)8/h2-4H,1H3

InChIKey

NPGGSSOXOVXWEI-UHFFFAOYSA-N

LogP

1.85592

Topological Polar Surface Area

29.96 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

129

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

2-CHLORO-3-METHYLPYRIDINE-4-CARBALDEHYDE
MFCD09910248
CS-0119843
C76531
DS-16583
AKOS006314920
790696-96-7
FT-0742539
SY108748
DTXSID10653107
NPGGSSOXOVXWEI-UHFFFAOYSA-N
2-chloro-3-methylisonicotinaldehyde
AB55074
SCHEMBL737167
2-CHLORO-3-METHYLPYRIDINE-4-CARBOXALDEHYDE
A864923
2-chloro-3-methylpyridine-4-carbaldehyde
2-Chloro-3-methylpyridine-4-carboxaldehyde
4-Pyridinecarboxaldehyde, 2-chloro-3-methyl-
FCH876689
2370AC
ST2416681
AX8072788

MDL Number

MFCD09910248

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 2-Chloro-3-methylisonicotinaldehyde (CAS: 790696-96-7)?

2-Chloro-3-methylisonicotinaldehyde is a white crystalline solid at room temperature. Its molecular weight is approximately 176.68 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol and acetone. Chemically, it is moderately reactive, particularly towards nucleophiles and reducing agents.

How is 2-Chloro-3-methylisonicotinaldehyde (CAS: 790696-96-7) typically synthesized?

2-Chloro-3-methylisonicotinaldehyde can be synthesized by reacting 3-methylisonicotinoyl chloride with sodium borohydride in a polar aprotic solvent. Common solvents include dichloromethane, and the reaction typically yields a high purity product with good selectivity and yield.

What industries use 2-Chloro-3-methylisonicotinaldehyde (CAS: 790696-96-7)?

2-Chloro-3-methylisonicotinaldehyde finds applications in the pharmaceutical industry, particularly in the synthesis of certain drugs. It is also used in the formulation of some pesticides and in the production of chemical sensors for detecting various analytes.

What precautions should be taken when handling 2-Chloro-3-methylisonicotinaldehyde (CAS: 790696-96-7)?

Handling 2-Chloro-3-methylisonicotinaldehyde requires appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated environment or a fume hood. Spills should be cleaned up immediately using appropriate absorbent materials. For detailed safety information, refer to the Material Safety Data Sheet (MSDS/SDS).