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

Basic Information

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CAS Number

879-39-0

Molecular Formula

C6HCl4NO2

Molecular Weight

260.89 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

65.0 to 68.0 deg-C

Boiling Point

120.5°C (rough estimate)

Density

1.9820 (rough estimate)

Flash Point

144.4°C

Refractive Index

1.6200 (estimate)

SMILES

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Clc1cc(N(=O)=O)c(c(c1Cl)Cl)Cl

InChI

InChI=1S/C6HCl4NO2/c7-2-1-3(11(12)13)5(9)6(10)4(2)8/h1H

InChIKey

MTBYTWZDRVOMBR-UHFFFAOYSA-N

LogP

4.2084

Topological Polar Surface Area

43.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

209

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

2,3,4,5-tetrachloronitrobenzene
folosandb-905fumite
nitrotetrachlorobenzene
1,2,3,4-Tetrachlor-5-nitro-benzol
1,2,3,4-tetrachloro-5-nitro-benzene
DB-905
2,3,4,5-tetrachloro-nitrobenzene
Benzene, 1,2,3,4-tetrachloro-5-nitro-
3,5-dichloro-2,4-dichloronitrobenzene
1-Nitro-2,3,4,5-tetrachlorobenzene
5-nitro-1,2,3,4-tetrachloro-benzen
2,3'-DICHLOROBENZOPHENONE
TCBN
2,3,4,5-Tetrachloro-1-nitrobenzene
1,2,3,4-Tetrachloro-5-nitrobenzene
Benzene, 5-nitro-1,2,3,4-tetrachloro-
N2WU0K04EH
MTBYTWZDRVOMBR-UHFFFAOYSA-N
Benzene,2,3,4-tetrachloro-
WLN: WNR BG CG DG EG
2,4,5-Tetrachloronitrobenzene
1-Nitro-2,4,5-tetrachlorobenzene
1,2,3,4-Tetrachloro-5-nitrobenzene (ACI)
NSC 5577
NSC 57752

MDL Number

MFCD00007064

Customs Code

2904909012

FAQ

What are the physical and chemical properties of 1,2,3,4-Tetrachloro-5-nitrobenzene (CAS: 879-39-0)?

1,2,3,4-Tetrachloro-5-nitrobenzene (CAS: 879-39-0) is a crystalline solid with a molecular weight of approximately 286.01 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. This compound is moderately reactive, particularly towards nucleophilic substitution and reduction reactions. It decomposes upon heating and is sensitive to light.

How is 1,2,3,4-Tetrachloro-5-nitrobenzene (CAS: 879-39-0) typically synthesized?

1,2,3,4-Tetrachloro-5-nitrobenzene (CAS: 879-39-0) is synthesized through the chlorination of 1-nitrobenzene followed by further chlorination. Commonly, this involves the reaction of 1-nitrobenzene with chlorine gas in the presence of a Lewis acid catalyst like aluminum chloride. The final step involves another chlorination to introduce the fourth chlorine atom.

What industries use 1,2,3,4-Tetrachloro-5-nitrobenzene (CAS: 879-39-0)?

1,2,3,4-Tetrachloro-5-nitrobenzene (CAS: 879-39-0) is used in the pharmaceutical industry for the synthesis of certain drugs, particularly those requiring chlorinated and nitro functionalities. It is also utilized in the production of chemical intermediates and for the development of sensors and other specialized applications.

What precautions should be taken when handling 1,2,3,4-Tetrachloro-5-nitrobenzene (CAS: 879-39-0)?

When handling 1,2,3,4-Tetrachloro-5-nitrobenzene (CAS: 879-39-0), it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood to minimize exposure to vapors. Spills should be handled with care, using absorbent materials, and the area should be thoroughly cleaned. Refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.