1,2-Dichloro-4-nitro-5-(trifluoromethyl)benzene

Basic Information

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CAS Number

50594-31-5

Molecular Formula

C7H2Cl2F3NO2

Molecular Weight

259.99 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

Boiling Point

256.4°C at 760 mmHg

Density

1.638

Flash Point

>110℃(230℉)(lit.)

Refractive Index

1.511

SMILES

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C1=C(C(=CC(=C1Cl)Cl)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C7H2Cl2F3NO2/c8-4-1-3(7(10,11)12)6(13(14)15)2-5(4)9/h1-2H

InChIKey

MMUARSWOJRDXBV-UHFFFAOYSA-N

LogP

4.44360

Complexity

256

Safety Information

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Hazard Statement

Hazard Class

Class IRRITANT Class IRRITANT

Class IRRITANT-HARMFUL Class IRRITANT-HARMFUL

Synonyms & References

English

MFCD00236666
3,4-Dichloro-6-nitrobenzotrifluoride
4,5-Dichloro-2-nitrobenzenetrifluoride
AC-4133
AM62015
DTXSID00371646
AKOS015890072
CS-W010151
CK2384
Benzene, 1,2-dichloro-4-nitro-5-(trifluoromethyl)-
PS-10479
FT-0651207
4,5-Dichloro-2-nitrobenzotrifluoride
SY020740
1,2-dichloro-4-nitro-5-(trifluoromethyl)benzene
SCHEMBL9765088
MMUARSWOJRDXBV-UHFFFAOYSA-N
50594-31-5
A7501
1,2-Dichloro-4-nitro-5-(trifluoromethyl)benzene
3,4-Dichloro-6-Nitrobenzotrifluoride

MDL Number

MFCD00236666

Customs Code

2904909090

FAQ

What are the physical and chemical properties of 1,2-Dichloro-4-nitro-5-(trifluoromethyl)benzene (CAS: 50594-31-5)?

1,2-Dichloro-4-nitro-5-(trifluoromethyl)benzene is a crystalline compound with a molecular weight of approximately 316.01 g/mol. It has a low solubility in water but is more soluble in organic solvents like dichloromethane and acetone. The compound is highly reactive towards nucleophiles and electrophiles, making it useful in organic synthesis. It decomposes at high temperatures and is sensitive to strong bases and reducing agents.

How is 1,2-Dichloro-4-nitro-5-(trifluoromethyl)benzene (CAS: 50594-31-5) typically synthesized?

1,2-Dichloro-4-nitro-5-(trifluoromethyl)benzene is commonly synthesized through a multi-step process involving chlorination of 4-nitro-5-(trifluoromethyl)benzene followed by nitration using nitric acid and sulfuric acid as reagents. The reaction is conducted under acidic conditions, and the product is purified by recrystallization or distillation.

What industries use 1,2-Dichloro-4-nitro-5-(trifluoromethyl)benzene (CAS: 50594-31-5)?

1,2-Dichloro-4-nitro-5-(trifluoromethyl)benzene is used in the pharmaceutical industry for the synthesis of certain medicinal compounds. It is also employed in the polymer industry for the production of advanced materials, and in the semiconductor industry for the fabrication of electronic devices. Additionally, it has applications in the construction of sensors and optical devices.

What precautions should be taken when handling 1,2-Dichloro-4-nitro-5-(trifluoromethyl)benzene (CAS: 50594-31-5)?

When handling 1,2-Dichloro-4-nitro-5-(trifluoromethyl)benzene, it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. The substance should be stored in a well-ventilated area, and operations should be conducted in a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbents, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for specific handling and emergency procedures.