2-Bromo-5-nitrobenzoic acid

Basic Information

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CAS Number

943-14-6

Molecular Formula

C7H4BrNO4

Molecular Weight

246.02 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic 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℃

Refractive Index

1.6200 (estimate)

SMILES

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C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Br

InChI

InChI=1S/C7H4BrNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,11)

InChIKey

UVFWYVCDRKRAJH-UHFFFAOYSA-N

LogP

2.57870

Complexity

227

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

2-Bromo-5-nitrobenzoic acid
2-Bromo-5-nitrobenzoic acid (ACI)
NSC 52211
AO-801/41077413
MFCD00134558
2-Bromo-5-nitrobenzoic acid, 98%
DTXCID70238838
CS-W002414
2-Bromo-5-nitrobenzoicacid
EN300-59031
SCHEMBL136718
J-508409
NSC-52211
B3841
NSC52211
BR1601
SY013438
STK498191
BP-13028
2-bromo-5-nitro benzoic acid
2-Bromo-5-nitro-benzoic acid
DTXSID40287691
NS00125827
Z277540502
2-Bromo-5-nitrobenzic acid
Benzoic acid, 2-bromo-5-nitro-
AC-23548
AKOS000283684
943-14-6
CS-11276

MDL Number

MFCD00134558

FAQ

What are the physical and chemical properties of 2-Bromo-5-nitrobenzoic acid (CAS: 943-14-6)?

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.

How is 2-Bromo-5-nitrobenzoic acid (CAS: 943-14-6) typically synthesized?

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.

What industries use 2-Bromo-5-nitrobenzoic acid (CAS: 943-14-6)?

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.

What precautions should be taken when handling 2-Bromo-5-nitrobenzoic acid (CAS: 943-14-6)?

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.