1,2,3,4-Tetrafluoro-5-nitrobenzene

Basic Information

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CAS Number

5580-79-0

Molecular Formula

C6HF4NO2

Molecular Weight

195.07 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

Boiling Point

80 °C/24 mmHg

Refractive Index

n20/D 1.473(lit.)

SMILES

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

InChI

InChI=1S/C6HF4NO2/c7-2-1-3(11(12)13)5(9)6(10)4(2)8/h1H

InChIKey

MKMDVNZEIQDZEP-UHFFFAOYSA-N

LogP

2.67440

Complexity

209

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

1-nitro-2,3,4,5-tetrafluorobenzene
methyl?4-(tert-butoxycarbonylamino)benzoate
EINECS 226-972-8
5580-79-0
NSC96618
2,3,4,5-(tetrafluoro)nitrobenzene
AS-46002
UNII-3N9SSF4I6Q
AKOS005255399
1,2,3,4-Tetrafluoro-5-nitrobenzene #
5-Nitro-1,2,3,4-tetrafluorobenzene
NS00044247
FT-0609351
AM62032
SCHEMBL57954
NSC 96618
MFCD00014686
2,3,4,5-Tetrafluoronitrobenzene
2,3,4,5-Tetrafluoronitrobenzene, 99%
3N9SSF4I6Q
EN300-129043
1,2,3,4-Tetrafluoro-5-nitrobenzene
A20698
DTXSID20204386
AC-9722
4-fluro-3-nitrobenzoic acid;Benzene, 1,2,3,4-tetrafluoro-5-nitro-;1,2,3,4-Tetrafluoro-5-nitrobenzene
CL8231
Benzene, 1,2,3,4-tetrafluoro-5-nitro-
2,3,4,5-tetrafluoro-1-nitrobenzene
W-109012
NSC-96618

MDL Number

MFCD00014686

Customs Code

2904909090

FAQ

What are the physical and chemical properties of 1,2,3,4-Tetrafluoro-5-nitrobenzene (CAS: 5580-79-0)?

1,2,3,4-Tetrafluoro-5-nitrobenzene is a crystalline solid with a molecular weight of approximately 248.04 g/mol. It is slightly soluble in water but soluble in common organic solvents like dichloromethane and acetonitrile. This compound is known for its high reactivity towards nucleophiles and can undergo substitution reactions. It is also a potent electrophile due to the presence of the nitro group.

How is 1,2,3,4-Tetrafluoro-5-nitrobenzene (CAS: 5580-79-0) typically synthesized?

1,2,3,4-Tetrafluoro-5-nitrobenzene can be synthesized via nitration of 1,2,3,4-tetrafluorobenzene using concentrated nitric acid and sulfuric acid as the acid catalyst. The reaction is typically carried out at low temperature to control the reaction selectivity. The yield of the product is usually around 70-80%, and the method requires proper handling of the nitric acid to prevent unintended side reactions.

What industries use 1,2,3,4-Tetrafluoro-5-nitrobenzene (CAS: 5580-79-0)?

1,2,3,4-Tetrafluoro-5-nitrobenzene is mainly used in the pharmaceutical and polymer industries. It serves as a precursor for various medicinal compounds and can also be used in the synthesis of fluorinated polymers. Additionally, it finds applications in the development of sensors and as a component in semiconductor materials due to its unique chemical properties.

What precautions should be taken when handling 1,2,3,4-Tetrafluoro-5-nitrobenzene (CAS: 5580-79-0)?

When handling 1,2,3,4-Tetrafluoro-5-nitrobenzene, it is essential to use proper personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. The compound should be stored in a well-ventilated area and handled under a fume hood to minimize exposure. Spills should be cleaned up promptly using appropriate cleaning agents. Emergency procedures and safety data sheets (SDS) should be readily available for reference in case of any incidents. The compound is a strong electrophile and can react with various reagents, so care must be taken to avoid unintended reactions.