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2-Bromo-5-nitrobenzoic acid(CAS: 943-14-6)

2-Bromo-5-nitrobenzoic acid
CAS Number

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Basic Information

Molecular Formula
C7H4BrNO4
Molecular Weight
246.02 g/mol

Physical Properties

Melting Point
180.0 to 184.0 deg-C
Boiling Point
370.5 °C at 760 mmHg
Density
2.0176 (rough estimate)
Flash Point
177.8℃

Chemical Identifiers

SMILES
C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Br
InChIKey
UVFWYVCDRKRAJH-UHFFFAOYSA-N

Database References

MDL Number
MFCD00134558
Beilstein Registry Number
980242

FAQ

2-Bromo-5-nitrobenzoic acid is a crystalline solid with a molecular weight of approximately 229.03 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetonitrile. The compound is moderately reactive, especially towards nucleophiles, and can undergo substitution reactions. It has a pKa of around 2.8 in aqueous solutions.
2-Bromo-5-nitrobenzoic acid is commonly synthesized by bromination of 5-nitrobenzoic acid using N-bromosuccinimide (NBS) in the presence of a radical initiator like benzoyl peroxide. The bromination step is typically carried out in an organic solvent like dichloromethane. Yields are generally high, and the product can be isolated by recrystallization.
2-Bromo-5-nitrobenzoic acid is used in the pharmaceutical industry for the synthesis of certain drugs, particularly those requiring bromine and nitro functionalities. It is also utilized in the polymer industry for the modification of polymers and in the semiconductor industry for the preparation of photoresists and other materials.
When handling 2-Bromo-5-nitrobenzoic acid, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Due to its reactivity, it should be stored in a cool, dry place away from direct sunlight and flammable materials. Spills should be handled using absorbent materials and the area should be cleaned with water. Always consult the Safety Data Sheet (SDS) for detailed safety information.

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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