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

Basic Information

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CAS Number

400-70-4

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

Melting Point

54.0 to 56.0 deg-C

Boiling Point

264.9 °C at 760 mmHg

Refractive Index

1.511

SMILES

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

InChI

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

InChIKey

VLVNHMVSVDVAOA-UHFFFAOYSA-N

LogP

4.44360

Complexity

256

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

Class IRRITANT-HARMFUL Class IRRITANT-HARMFUL

Synonyms & References

English

400-70-4
NS00126022
A6693
AKOS000121380
2,4-dichloro-5-nitro-1-trifluoromethylbenzene
AC-22519
EN300-21126
1,5-Dichloro-2-nitro-4-(trifluoromethyl)benzene
AS-15927
AKOS015923155
1,5-Dichloro-2-nitro-4-(trifluoromethyl)benzene #
AMY21847
Z104492490
2-chloro-4-chloro-5-trifluoromethyl-nitrobenzene
2,4-Dichloro-5-nitrobenzotrifluoride
3-trifluoromethyl-4,6-dichloronitrobenzene
DTXSID50347412
2,4-Dichloro-5-nitrobenzotrifluoride, 97%
FT-0610017
MFCD00007073
Benzene, 1,5-dichloro-2-nitro-4-(trifluoromethyl)-
SCHEMBL602444
SY029696
2,4-Dichloro-5-Nitro benzotrifluoride
CS-W014071
1,5-DICHLORO-2-NITRO-4-(TRIFLUOROMETHYL)BENZENE

MDL Number

MFCD00007073

Customs Code

2904909090

FAQ

What are the physical and chemical properties of 1,5-Dichloro-2-nitro-4-(trifluoromethyl)benzene (CAS: 400-70-4)?

1,5-Dichloro-2-nitro-4-(trifluoromethyl)benzene is a crystalline solid with a molecular weight of approximately 317.03 g/mol. It has low water solubility but is soluble in common organic solvents like dichloromethane and acetonitrile. It is moderately reactive and can undergo substitution and nitration reactions. It is also known for its high thermal stability and low volatility.

How is 1,5-Dichloro-2-nitro-4-(trifluoromethyl)benzene (CAS: 400-70-4) typically synthesized?

1,5-Dichloro-2-nitro-4-(trifluoromethyl)benzene is typically synthesized via the Friedel-Crafts alkylation of 2-nitro-4-(trifluoromethyl)benzene with chlorine, followed by nitration. The reaction is usually carried out under anhydrous conditions with a Lewis acid catalyst such as aluminum chloride (AlCl3). The yield is moderate, around 50-70%, depending on the purity and handling of reactants.

What industries use 1,5-Dichloro-2-nitro-4-(trifluoromethyl)benzene (CAS: 400-70-4)?

1,5-Dichloro-2-nitro-4-(trifluoromethyl)benzene is used in the pharmaceutical industry for the synthesis of certain organic compounds. It is also utilized in the polymer industry for the production of advanced materials with specific properties. Additionally, it finds applications in the development of sensors and semiconductors due to its unique chemical structure.

What precautions should be taken when handling 1,5-Dichloro-2-nitro-4-(trifluoromethyl)benzene (CAS: 400-70-4)?

When handling 1,5-Dichloro-2-nitro-4-(trifluoromethyl)benzene, it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. This compound should be stored in a fume hood to minimize exposure to air and potential reactions. Spills should be cleaned up using absorbent materials, and the area should be ventilated. Always refer to the safety data sheet (SDS) for specific handling and disposal instructions.