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3-(1-Cyanoethyl)benzoic acid(CAS: 5537-71-3)

3-(1-Cyanoethyl)benzoic acid
CAS Number

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Basic Information

Molecular Formula
C10H9NO2
Molecular Weight
175.18 g/mol

Physical Properties

Melting Point
145-148 °C (lit.)
Boiling Point
355.8℃ at 760 mmHg
Density
1.2±0.1 g/cm3
Flash Point
169.0±23.2 °C

Chemical Identifiers

SMILES
CC(C#N)C1=CC(=CC=C1)C(=O)O
InChIKey
IRYIYPWRXROPSX-UHFFFAOYSA-N

Database References

MDL Number
MFCD00002520

FAQ

3-(1-Cyanoethyl)benzoic acid (CAS: 5537-71-3) is an organic compound with the chemical formula C9H8NO2. It features a benzoic acid group attached to a 1-cyanoethyl substituent, making it a versatile intermediate in chemical synthesis. The compound is typically a white solid with moderate solubility in polar solvents and exhibits specific functional group reactivity due to its cyano and carboxylic acid moieties.
3-(1-Cyanoethyl)benzoic acid (CAS: 5537-71-3) is primarily used in pharmaceutical research as a building block for drug development. It also serves in industrial applications, such as polymer synthesis and chemical intermediates. In research settings, it is valued for its utility in organic synthesis and functional group modification. Its unique structure makes it relevant in the production of specialized materials and agrochemicals.
3-(1-Cyanoethyl)benzoic acid (CAS: 5537-71-3) requires careful handling due to potential irritant properties. While it is not classified as highly toxic, prolonged exposure may pose health risks. Safety standards recommend using appropriate PPE, such as gloves and goggles, and working in a well-ventilated area. Always follow OSHA and EPA guidelines for chemical storage and disposal to ensure safe handling.
3-(1-Cyanoethyl)benzoic acid (CAS: 5537-71-3) should be stored in a cool, dry, and dark place, ideally at 2-8°C. Maintain low humidity levels to prevent hydrolysis, and keep it in a sealed container made of glass or HDPE. Protect from light exposure to ensure stability, and store away from incompatible substances like strong bases or oxidizers. Always check the product’s safety data sheet for specific storage instructions.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

Contact Information

Contact Person

Zhang Zeyuan

Email

Sales-CN@TCIchemicals.com