3,5-Dichloro-2-pyrazinecarboxylic acid

Basic Information

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CAS Number

312736-49-5

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

SMILES

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C1=C(N=C(C(=N1)C(=O)O)Cl)Cl

InChI

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

InChIKey

QRFOSHOPPFYNAH-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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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

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

AKOS006311492
312736-49-5
PS-4982
3,5-dichloropyrazine-2-carboxylicacid
3,5-dichloro-pyrazine-2-carboxylic acid
A849869
J-511307
Pyrazinecarboxylic acid, 3,5-dichloro-
DTXSID50627428
EN300-132795
SCHEMBL1615193
CS-W006689
PB29742
SY065280
AMY33668
FT-0686917
QRFOSHOPPFYNAH-UHFFFAOYSA-N
3,5-dichloropyrazine-2-carboxylic acid
Z1198261704
2-Carboxy-3,5-dichloropyrazine
3,5-dichloro-pyrazine-2-carboxylic-acid
MFCD09909819
3,5-Dichloropyrazine-2-carboxylic acid
2-COOH-3,5-di-Cl-pyrazine
3,5-dichloro-2-Pyrazinecarboxylic acid
3,5-Dichloropyrazine-2-carboxyamide
QC-6803

MDL Number

MFCD09909819

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 3,5-Dichloro-2-pyrazinecarboxylic acid (CAS: 312736-49-5)?

3,5-Dichloro-2-pyrazinecarboxylic acid (CAS: 312736-49-5) is a crystalline white solid with a molecular weight of approximately 213.04 g/mol. It has a melting point of about 185-186°C and a pKa of around 4.2. The compound is slightly soluble in water but soluble in common organic solvents like methanol and acetonitrile. It shows moderate reactivity towards nucleophiles and can be used as a starting material in various organic synthesis reactions.

How is 3,5-Dichloro-2-pyrazinecarboxylic acid (CAS: 312736-49-5) typically synthesized?

3,5-Dichloro-2-pyrazinecarboxylic acid (CAS: 312736-49-5) is typically synthesized via the condensation of 2-chloro-pyrazine with chloroacetyl chloride in the presence of a catalyst like sodium carbonate. The yield is usually around 70-75%, and the reaction is performed under mild conditions to ensure high selectivity and purity.

What industries use 3,5-Dichloro-2-pyrazinecarboxylic acid (CAS: 312736-49-5)?

3,5-Dichloro-2-pyrazinecarboxylic acid (CAS: 312736-49-5) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of certain drugs. It is also utilized in the polymer industry for the production of specialized polymers. Additionally, it has applications in the development of sensors and semiconductors, particularly in the electronics sector.

What precautions should be taken when handling 3,5-Dichloro-2-pyrazinecarboxylic acid (CAS: 312736-49-5)?

When handling 3,5-Dichloro-2-pyrazinecarboxylic acid (CAS: 312736-49-5), it is recommended to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a closed container at room temperature and away from direct sunlight. In case of a spill, the area should be ventilated, and appropriate containment measures should be taken to prevent environmental contamination. For further safety information, refer to the Material Safety Data Sheet (MSDS).