3-(1H-pyrazol-3-yl)benzoic acid(CAS: 850375-11-0)

CAS Number
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Basic Information
Molecular Formula
C10H8N2O2
Molecular Weight
188.19 g/mol
Physical Properties
Melting Point
204 °C
Density
1.355
Chemical Identifiers
SMILES
OC(=O)c1cccc(c1)c2cc[nH]n2
InChIKey
RXZRBZWATRFHCS-UHFFFAOYSA-N
Database References
MDL Number
MFCD03407956
FAQ
What are the physical and chemical properties of 3-(1H-pyrazol-3-yl)benzoic acid (CAS: 850375-11-0)?
3-(1H-pyrazol-3-yl)benzoic acid (CAS: 850375-11-0) is a crystalline solid with a molecular weight of approximately 226.2 g/mol. It has a pKa of about 4.6 and is slightly soluble in water but soluble in organic solvents like ethanol and acetonitrile. Chemically, it exhibits typical carboxylic acid reactivity, including esterification and formation of salts.
3-(1H-pyrazol-3-yl)benzoic acid can be synthesized via several routes. A common method involves the condensation of 3-formylpyrazole with benzoic anhydride followed by hydrolysis. This reaction is typically catalyzed by an acid, and the process yields a pure product with good selectivity and moderate to high yield depending on the conditions.
3-(1H-pyrazol-3-yl)benzoic acid (CAS: 850375-11-0) finds applications in the pharmaceutical industry for its potential as a drug intermediate. It is also used in the production of sensors and as a precursor in the synthesis of other compounds. Its properties make it suitable for research and development in materials science, particularly in the area of semiconductors and polymers.
When handling 3-(1H-pyrazol-3-yl)benzoic acid (CAS: 850375-11-0), it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure that the work is carried out in a well-ventilated area or a fume hood. In case of a spill, immediately clean up using appropriate absorbents and follow the safety data sheet (SDS) for further instructions. Always refer to the SDS for detailed safety information and emergency procedures.
Safety Notice
Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.
Always follow proper handling procedures
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