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3-Cyanobenzoic Acid Methyl Ester(CAS: 13531-48-1)

3-Cyanobenzoic Acid Methyl Ester
CAS Number

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Basic Information

Molecular Formula
C9H7NO2
Molecular Weight
161.16 g/mol

Physical Properties

Melting Point
59-61 ºC
Boiling Point
267.2℃ at 760 mmHg
Density
1.18
Flash Point
120℃

Chemical Identifiers

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

Database References

MDL Number
MFCD00220156

FAQ

3-Cyanobenzoic Acid Methyl Ester (CAS: 13531-48-1) is a crystalline solid with a molecular weight of approximately 198.14 g/mol. It has a melting point of around 100-102°C and a low solubility in water. The compound is reactive, particularly towards nucleophiles and bases. It is used in various chemical syntheses and as an intermediate in the pharmaceutical industry.
3-Cyanobenzoic Acid Methyl Ester (CAS: 13531-48-1) is typically synthesized via the reaction of benzoic acid methyl ester with cyanogen chloride. The reaction is conducted in the presence of a base such as sodium hydroxide, leading to high selectivity and yield. This compound is also prepared through electrochemical cyanation techniques.
3-Cyanobenzoic Acid Methyl Ester (CAS: 13531-48-1) is primarily used in the pharmaceutical industry as a precursor for the synthesis of various drugs. It also finds applications in the polymer industry for the development of specialized polymers, and in the sensor and semiconductor industries for functional materials.
When handling 3-Cyanobenzoic Acid Methyl Ester (CAS: 13531-48-1), it is important to wear personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure the use of a fume hood during the preparation and manipulation of the compound. Spills should be handled with care and neutralized using an appropriate base before disposal. Always refer to the Safety Data Sheet (SDS) for detailed handling 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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