2-bromo-4-nitrobenzoic acid

Basic Information

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CAS Number

16426-64-5

Molecular Formula

C7H4BrNO4

Molecular Weight

246.01 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

167.0 to 171.0 deg-C

Boiling Point

381.6 °C at 760 mmHg

Flash Point

184.6°C

Refractive Index

1.6200 (estimate)

SMILES

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

InChI

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

InChIKey

CEXGTXNIIFSPSF-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

J-010126
2-Bromo-4-nitrobenzoicAcid
AKOS015834863
FT-0659117
2-bromanyl-4-nitro-benzoic acid
A929478
PS-3456
DTXSID60310516
Benzoic acid, 2-bromo-4-nitro-
16426-64-5
B3607
AB-016/30038048
2-Bromo4-nitrobenzoic acid
2-Bromo-4-nitrobenzoic acid
EN300-82997
2-Bromo-4-nitro benzoic acid
CEXGTXNIIFSPSF-UHFFFAOYSA-N
MFCD00234252
Z1238547381
2-bromo-4-nitro-benzoic acid
NSC227965
SY023312
CS-W014121
A810548
CL9092
SCHEMBL616678
NSC-227965
BENZOIC ACID, 2-BROMO-4-NITRO
H-PHG-OTBUHCL
NSC 227965
3-Bromo-4-carboxynitrobenzene

MDL Number

MFCD00234252

Customs Code

2916399090

FAQ

What regulatory guidelines apply to 2-bromo-4-nitrobenzoic acid (CAS: 16426-64-5)?

2-Bromo-4-nitrobenzoic acid (CAS: 16426-64-5) is classified as a hazardous material under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS). It is regulated under REACH in the EU and is subject to FDA and EPA regulations in the US for its use in pharmaceutical and industrial applications. Proper handling, storage, and disposal must comply with local, state, and international regulations regarding hazardous substances.

Are there alternatives to 2-bromo-4-nitrobenzoic acid (CAS: 16426-64-5) in synthesis?

While 2-bromo-4-nitrobenzoic acid (CAS: 16426-64-5) is a widely used reagent, alternatives include other nitrobenzoic acids or brominated compounds. Common substitutes include 4-nitrobenzoic acid and 2-nitrobenzoic acid, depending on the specific reaction conditions and desired product. These alternatives offer similar functionalities but may have different reactivity and solubility properties.

What is the market or research trend for 2-bromo-4-nitrobenzoic acid (CAS: 16426-64-5)?

The market for 2-bromo-4-nitrobenzoic acid (CAS: 16426-64-5) is steadily growing due to its use in pharmaceuticals, agrochemicals, and organic synthesis. Research trends focus on its application in developing new drugs and materials, as well as on exploring its potential in green chemistry. Price trends remain stable, with demand driven by increasing pharmaceutical and industrial research activity.

How should waste containing 2-bromo-4-nitrobenzoic acid (CAS: 16426-64-5) be handled?

Waste containing 2-bromo-4-nitrobenzoic acid (CAS: 16426-64-5) should be collected in appropriate containers and neutralized with a suitable reagent if necessary. Incineration or professional waste disposal services are recommended to ensure proper disposal. Environmental protection precautions include wearing appropriate PPE, ensuring adequate ventilation, and following local regulations for hazardous waste management. Storage of waste should be in a secure, labeled, and well-ventilated area.