3,6-Dichloro-4-pyridazinecarboxylic acid

Basic Information

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CAS Number

51149-08-7

Molecular Formula

C5H2Cl2N2O2

Molecular Weight

192.99 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

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

142 °C (dec.)

Boiling Point

424.8°C at 760 mmHg

Flash Point

210.7℃

SMILES

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C1=C(C(=NN=C1Cl)Cl)C(=O)O

InChI

InChI=1S/C5H2Cl2N2O2/c6-3-1-2(5(10)11)4(7)9-8-3/h1H,(H,10,11)

InChIKey

FRCXPDWDMAYSCE-UHFFFAOYSA-N

LogP

1.4816

Topological Polar Surface Area

63.08 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

167

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

3,6-dichloropyridazin-4-carboxylic acid
3,6-Dichloropyridazine-4-carboxylic acid, 98%
HMS1398N14
4-Pyridazinecarboxylic acid, 3,6-dichloro-
SY007613
A828461
AKOS001013304
DTXSID20330952
CS-W001153
Enamine_001708
GS-6674
EN300-16877
AF-399/25108076
51149-08-7
BB 0261289
AM20100256
Z56806045
F3111-0070
3,6-dichloro-4-carboxy-pyridazine
3,6-dichloro-pyridazine-4-carboxylic acid
J-511398
MFCD00011575
SCHEMBL104396
PB10028
AC-1507
FRCXPDWDMAYSCE-UHFFFAOYSA-N
3,6-bis(chloranyl)pyridazine-4-carboxylic acid
3,6-dichloro-4-pyridazinecarboxylic acid
BCP05892
3,6-Dichloropyridazine-4-carboxylic acid
3,6-Dichloropyridazine-4-carboxylicacid

MDL Number

MFCD00011575

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 3,6-Dichloro-4-pyridazinecarboxylic acid (CAS: 51149-08-7)?

3,6-Dichloro-4-pyridazinecarboxylic acid is a white to off-white crystalline solid with a molecular weight of approximately 226.03 g/mol. It has a low solubility in water but is more soluble in organic solvents. This compound is relatively stable under normal conditions but can react with strong bases to form salts. It is insoluble in water, soluble in ethanol, and slightly soluble in acetone.

How is 3,6-Dichloro-4-pyridazinecarboxylic acid (CAS: 51149-08-7) typically synthesized?

3,6-Dichloro-4-pyridazinecarboxylic acid is typically synthesized via the reaction of 4-chloropyridazine with chloroacetyl chloride followed by hydrolysis. The synthesis involves a series of steps that include chlorination and acylation. The yield of the final product is around 85-90%, and the reaction is selective, with minimal by-products. Suitable catalysts and solvents are used to enhance the reaction selectivity and yield.

What industries use 3,6-Dichloro-4-pyridazinecarboxylic acid (CAS: 51149-08-7)?

3,6-Dichloro-4-pyridazinecarboxylic acid finds applications primarily in the pharmaceutical industry as an intermediate for the synthesis of various drugs. It is also used in the chemical industry for the production of dyes and as a reagent in analytical chemistry. Additionally, it can be used in the sensor industry for the development of gas sensors.

What precautions should be taken when handling 3,6-Dichloro-4-pyridazinecarboxylic acid (CAS: 51149-08-7)?

When handling 3,6-Dichloro-4-pyridazinecarboxylic acid, it is essential to use proper personal protective equipment (PPE), including gloves, goggles, and a lab coat. This compound should be stored in a cool, dry place away from heat sources and direct sunlight. It should be handled under a fume hood to minimize inhalation risk. In case of a spill, immediately contain it and clean up using appropriate absorbents. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.