1-Chloro-3-fluoro-5-nitrobenzene

Basic Information

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CAS Number

4815-64-9

Molecular Formula

C6H3ClFNO2

Molecular Weight

175.55 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

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

SMILES

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C1=C(C=C(C=C1F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C6H3ClFNO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H

InChIKey

TZAGKOKYKROSOW-UHFFFAOYSA-N

LogP

2.3873000000000006

Topological Polar Surface Area

43.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

161

Synonyms & References

English

1-chloro-3-fluoro-5-nitro benzene
1-chloro-3-fluoro-5-nitro-benzene
3-Chloro-5-fluoronitrobenzene
1-Chlor-3-fluor-5-nitro-benzol
3-Chlor-5-nitro-1-fluor-benzol
3-Chlor-5-nitro-fluorbenzol
1-chloro-3-fluoro-5-nitrobenzene
DS-9441
SCHEMBL8999906
3-Chloro-5-fluoronitro benzene
AKOS025286044
DB-191086
SY116264
1-Chloro-3-fluoro-5-nitro-benzene
CL9667
A871944
CS-W007209
TZAGKOKYKROSOW-UHFFFAOYSA-N
MFCD11973918
1-Chloro-3-fluoro-5-nitrobenzene,
4815-64-9
3-CHLORO-5-FLUORONITROBENZENE

MDL Number

MFCD11973918

Customs Code

2904909090

FAQ

What are the physical and chemical properties of 1-Chloro-3-fluoro-5-nitrobenzene (CAS: 4815-64-9)?

1-Chloro-3-fluoro-5-nitrobenzene (CAS: 4815-64-9) is a crystalline solid with a molecular weight of 211.58 g/mol. It has a low solubility in water but is more soluble in organic solvents like acetone and dichloromethane. Chemically, it is highly reactive with reducing agents and aromatic amines, making it useful in various synthetic reactions.

How is 1-Chloro-3-fluoro-5-nitrobenzene (CAS: 4815-64-9) typically synthesized?

1-Chloro-3-fluoro-5-nitrobenzene (CAS: 4815-64-9) can be synthesized through the nitration of 1-chloro-3-fluorobenzene. This process typically involves the use of a mixture of nitric acid and sulfuric acid as the nitrating agent. The yield is approximately 85%, and the selectivity towards the 5-nitro position is very high.

What industries use 1-Chloro-3-fluoro-5-nitrobenzene (CAS: 4815-64-9)?

1-Chloro-3-fluoro-5-nitrobenzene (CAS: 4815-64-9) is primarily used in the pharmaceutical and chemical industries for the synthesis of intermediates and active pharmaceutical ingredients. It also finds applications in the production of dyes and other organic compounds.

What precautions should be taken when handling 1-Chloro-3-fluoro-5-nitrobenzene (CAS: 4815-64-9)?

When handling 1-Chloro-3-fluoro-5-nitrobenzene (CAS: 4815-64-9), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for detailed safety information.