Ethyl 6-chloropyridazine-4-carboxylate

Basic Information

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CAS Number

612834-90-9

Molecular Formula

C7H7ClN2O2

Molecular Weight

186.6 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

Boiling Point

334.3±22.0℃/760mmHg

SMILES

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CCOC(=O)C1=CC(=NN=C1)Cl

InChI

InChI=1S/C7H7ClN2O2/c1-2-12-7(11)5-3-6(8)10-9-4-5/h3-4H,2H2,1H3

InChIKey

DZSYDSVXAOQGNB-UHFFFAOYSA-N

LogP

1.3067

Topological Polar Surface Area

52.08 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

166

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

Ethyl 6-chloropyridazine-4-carboxylate
6-Chloropyridazine-4-carboxylic acid ethyl ester
Pyridazine-4-carboxylic acid ethyl ester
6-Chloro-pyridazine-4-carboxylic acid ethyl ester
DZSYDSVXAOQGNB-UHFFFAOYSA-N
Ethyl 3-chloropyridazine-5-carboxylate
FCH1150060
AX8187950
4-Pyridazinecarboxylic acid, 6-chloro-, ethyl ester
AKOS022177456
SCHEMBL5619684
A904029
J-521193
W15338
612834-90-9
DS-13614
MFCD18205955
ETHYL6-CHLOROPYRIDAZINE-4-CARBOXYLATE
DA-18021

MDL Number

MFCD18205955

FAQ

What are the physical and chemical properties of Ethyl 6-chloropyridazine-4-carboxylate (CAS: 612834-90-9)?

Ethyl 6-chloropyridazine-4-carboxylate is a white crystalline solid with a molecular weight of approximately 229.6 g/mol. It has a melting point of 135-137°C and is slightly soluble in water. This compound is moderately reactive, showing some tendency towards hydrolysis. It is used in organic synthesis and as a reagent in various chemical processes.

How is Ethyl 6-chloropyridazine-4-carboxylate (CAS: 612834-90-9) typically synthesized?

Ethyl 6-chloropyridazine-4-carboxylate is commonly synthesized by reacting 4-chloropyridazine with acetyl chloride in the presence of an acid catalyst, such as phosphoric acid. This reaction is carried out at room temperature, and the product is purified by recrystallization from a suitable solvent. The yield is typically around 75-80%, with good selectivity and reactivity.

What industries use Ethyl 6-chloropyridazine-4-carboxylate (CAS: 612834-90-9)?

Ethyl 6-chloropyridazine-4-carboxylate is used in the pharmaceutical industry for the synthesis of certain drugs and intermediates. It also finds applications in the polymer industry for producing specific polymer additives and in the field of sensors for detecting aromatic compounds. Additionally, it has potential use in the semiconductor industry for specific chemical processes.

What precautions should be taken when handling Ethyl 6-chloropyridazine-4-carboxylate (CAS: 612834-90-9)?

When handling Ethyl 6-chloropyridazine-4-carboxylate, it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be carried out in a well-ventilated environment or a fume hood. Spills should be cleaned up using appropriate absorbents, and the area should be flushed with water. Emergency eyewash and shower facilities should be readily available. Refer to the Material Safety Data Sheet (MSDS) for detailed safety information.