3-(Pyrazin-2-yl)benzoic acid

Basic Information

View in Editor

CAS Number

856905-13-0

Molecular Formula

C11H8N2O2

Molecular Weight

200.2 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

418.3±35.0 °C(Predicted)

Density

1.302±0.06 g/cm3(Predicted)

SMILES

View in Editor

C1=CC(=CC(=C1)C(=O)O)C2=NC=CN=C2

InChI

InChI=1S/C11H8N2O2/c14-11(15)9-3-1-2-8(6-9)10-7-12-4-5-13-10/h1-7H,(H,14,15)

InChIKey

FQEYELBTYMODMC-UHFFFAOYSA-N

LogP

1.8417999999999999

pKa

3.77±0.10(Predicted)

Topological Polar Surface Area

63.08 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

233

Synonyms & References

English

3-(3,6-Dimethylpyrazin-2-yl)benzoic acid
3-(3-Chloropyrazin-2-yl)benzoic acid
3-(6-Aminopyrazin-2-yl)benzoic acid
3-(6-Chloropyrazin-2-yl)benzoic acid
3-(PYRAZIN-2-YL)BENZOIC ACID
Benzoic acid, 3-(2-pyrazinyl)-
3-(2-pyrazinyl)benzoic acid
3-(Pyrazin-2-yl)benzoic acid
3-PYRAZIN-2-YLBENZOIC ACID
Benzoicacid, 3-(2-pyrazinyl)-
3-Pyrazin-2-yl-benzoic acid
DTXSID70624691
3-Pyrazin-2-ylbenzoic acid
856905-13-0
Benzoicacid,3-(2-pyrazinyl)-
TS-02829
MFCD08669903
YSZC1243
CS-0060394
AKOS013284189
SCHEMBL4775152
3-(PYRAZIN-2-YL)BENZOICACID
3-(2-Pyrazinyl)benzoic acid
FQEYELBTYMODMC-UHFFFAOYSA-N
NCGC00374129-01
Benzoic acid, 3-pyrazinyl-

MDL Number

MFCD08669903

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 3-(Pyrazin-2-yl)benzoic acid (CAS: 856905-13-0)?

3-(Pyrazin-2-yl)benzoic acid has a crystalline form at room temperature. Its molecular weight is approximately 227.15 g/mol. The compound is poorly soluble in water but soluble in organic solvents like ethanol and acetonitrile. It shows moderate reactivity with bases and can undergo condensation reactions. The melting point is around 300°C, and it is slightly acidic.

How is 3-(Pyrazin-2-yl)benzoic acid (CAS: 856905-13-0) typically synthesized?

3-(Pyrazin-2-yl)benzoic acid is usually synthesized by the condensation of 2-pyrazinecarboxylic acid with benzoic acid. The reaction typically requires a catalyst such as a base like sodium hydroxide or potassium hydroxide. The yield is around 70-80%, and the reaction is carried out in an aqueous organic solvent mixture. The selectivity towards the desired product is good.

What industries use 3-(Pyrazin-2-yl)benzoic acid (CAS: 856905-13-0)?

3-(Pyrazin-2-yl)benzoic acid is used in the pharmaceutical industry for the synthesis of certain drugs. It is also utilized in the polymer industry for the development of special polymers due to its chemical reactivity. Additionally, it has applications in the sensor and semiconductor industries for its electronic properties and reactivity.

What precautions should be taken when handling 3-(Pyrazin-2-yl)benzoic acid (CAS: 856905-13-0)?

When handling 3-(Pyrazin-2-yl)benzoic acid, it is important to use appropriate personal protective equipment (PPE) such as gloves and eye protection. Work should be conducted in a well-ventilated area or a fume hood to avoid inhalation of dust or vapors. Spills should be cleaned up carefully, and the material safety data sheet (MSDS) should be consulted for specific guidance on disposal and cleanup procedures.