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3-cyanobenzoic acid(CAS: 1877-72-1)

3-cyanobenzoic acid
CAS Number

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Basic Information

Molecular Formula
C8H5NO2
Molecular Weight
147.13 g/mol

Physical Properties

Melting Point
218.0 to 222.0 deg-C
Boiling Point
267.22°C (rough estimate)
Flash Point
150.1 °C

Chemical Identifiers

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

Database References

MDL Number
MFCD00002486
Beilstein Registry Number
1862566

FAQ

3-Cyanobenzoic acid (CAS: 1877-72-1) is a white crystalline solid with a molecular weight of 163.12 g/mol. It has a solubility of 1.2 g/100 mL in water at 25°C. The compound is moderately reactive with bases and reduced reactivity with acids. It exhibits weak acid properties and can form salts with bases.
3-Cyanobenzoic acid is typically synthesized by the reaction of benzoic acid with nitrogen trichloride (NCl3) or by the nitration of benzoic acid followed by hydrolysis. The nitration step yields 2,4,6-trinitrobenzoic acid, which is then reduced to 3-cyanobenzoic acid using various methods such as copper catalysis or hydrogenation.
3-Cyanobenzoic acid (CAS: 1877-72-1) is used in various industries. It is a crucial intermediate in the synthesis of pharmaceuticals, particularly in the production of anti-inflammatory and analgesic drugs. It is also used in the production of dyes, as a precursor for the synthesis of polymers, and in the development of sensors and semiconductors.
When handling 3-cyanobenzoic acid (CAS: 1877-72-1), appropriate personal protective equipment (PPE) such as gloves, safety glasses, and a lab coat should be worn. The compound should be stored in a tightly sealed container in a cool, dry place away from direct sunlight. In case of a spill, it should be cleaned up using appropriate procedures as outlined in the material safety data sheet (MSDS/SDS). Work should always be conducted in a well-ventilated area or fume hood due to its potential for forming corrosive vapors.

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

Li Jun

Email

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