2-Bromo-1-fluoro-4-nitrobenzene

Basic Information

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CAS Number

701-45-1

Molecular Formula

C6H3BrFNO2

Molecular Weight

220 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

55.0 to 59.0 deg-C

Boiling Point

250.6°C at 760 mmHg

Density

1.808

Water Solubility

Slightly soluble in water.

Flash Point

105.4℃

Refractive Index

1.484

SMILES

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

InChI

InChI=1S/C6H3BrFNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H

InChIKey

FAWMTDSAMOCUAR-UHFFFAOYSA-N

LogP

3.01960

Complexity

161

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

AKOS005071017
EN300-91512
FT-0600937
F6Q7EY57QW
2-Bromo-1-fluoro-4-nitrobenzene, 95%
BP-13103
2-Bromo-1-fluoro-4-nitrobenzene, AldrichCPR
DTXSID30220375
B2958
AC-3040
SCHEMBL431642
FAWMTDSAMOCUAR-UHFFFAOYSA-N
SY003645
3-Bromo-4-fluoronitrobenzene
2-Bromo-1-fluoro-4-nitrobenzene
MFCD00055433
2-bromo-1-fluoro-4-nitro-benzene
CS-W007651
AM20041044
Benzene, 2-bromo-1-fluoro-4-nitro-
3-bromo-4-fluoro-1-nitrobenzene
A9266
NS00041973
W-104567
3-bromo-4-fluoronitrobezene
EINECS 211-855-6
2-bromo-1-fluoro4-nitro benzene
SB13084
3-bromo-4-fluoro-nitrobenzene
4-fluoro-3-bromonitrobenzene
7P-057

MDL Number

MFCD00055433

Customs Code

2904909090

FAQ

What are the physical and chemical properties of 2-Bromo-1-fluoro-4-nitrobenzene (CAS: 701-45-1)?

2-Bromo-1-fluoro-4-nitrobenzene is a crystalline solid with a molecular weight of 241.01 g/mol. It has limited solubility in water but is more soluble in organic solvents like ethanol and acetone. This compound is highly reactive due to the presence of electron-withdrawing groups, making it prone to redox reactions and nucleophilic substitution. It is typically stored in a dry, cool place away from moisture and heat.

How is 2-Bromo-1-fluoro-4-nitrobenzene (CAS: 701-45-1) typically synthesized?

2-Bromo-1-fluoro-4-nitrobenzene can be synthesized via bromination of 1-fluoro-4-nitrobenzene followed by bromination. Commonly, bromine in the presence of a Lewis acid like aluminum tribromide is used. The reaction is typically carried out under anhydrous conditions to prevent side reactions. The yield is usually around 75-80%, and the product can be purified by recrystallization.

What industries use 2-Bromo-1-fluoro-4-nitrobenzene (CAS: 701-45-1)?

2-Bromo-1-fluoro-4-nitrobenzene is used in the pharmaceutical industry for the synthesis of certain drug intermediates. It also finds applications in organic synthesis as a versatile starting material for the preparation of other functionalized derivatives. In the polymer industry, it serves as a monomer precursor for the development of novel materials. Additionally, it has potential applications in sensor technology and as a building block in semiconductor manufacturing.

What precautions should be taken when handling 2-Bromo-1-fluoro-4-nitrobenzene (CAS: 701-45-1)?

When handling 2-Bromo-1-fluoro-4-nitrobenzene, proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat is essential. The compound should be stored in a sealed container in a well-ventilated area. Spills should be handled with caution, using appropriate safety measures. In case of inhalation, seek medical attention immediately. Always consult the Safety Data Sheet (SDS) for specific guidelines on storage, handling, and emergency procedures.