2-Chloro-1,5-dinitro-3-(trifluoromethyl)benzene

Basic Information

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CAS Number

392-95-0

Molecular Formula

C7H2ClF3N2O4

Molecular Weight

270.55 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

Basic Physical Properties

Melting Point

62.0 to 64.0 deg-C

Boiling Point

250C

Density

1.7060

Water Solubility

Insoluble in water. Soluble in Chloroform, Methanol.

Flash Point

126.2°C

Refractive Index

1.377

SMILES

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C1=C(C=C(C(=C1C(F)(F)F)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H2ClF3N2O4/c8-6-4(7(9,10)11)1-3(12(14)15)2-5(6)13(16)17/h1-2H

InChIKey

RLXKADBMLQPLDV-UHFFFAOYSA-N

LogP

4.22160

Complexity

327

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 8 Class 8

Synonyms & References

English

AM61946
2-Chloro-1,5-dinitro-3-(trifluoromethyl)benzene
DTXSID9073177
MFCD00007076
PS-10428
AKOS015889826
SCHEMBL1943291
2-chloro-3,5-dinitro-benzotrifluoride
EINECS 206-883-0
2-Chloro-3,5-dinitrobenzotrifluoride
392-95-0
C7H2ClF3N2O4
Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)-
2-Chloro-1,5-dinitro-3-(trifluoromethyl)benzene #
NS00042717
SY075441
CS-W010098
2-Chloro-1-(trifluoromethyl)-3,5-dinitrobenzene
2,4-dinitro-6-trifluoromethylchlorobenzene
2-Propynal, 3-(4-methoxyphenyl)-
4-chloro-5-trifluoromethyl-1,3-dinitrobenzene
W-106446
FT-0611714
2-Chlorine-3,5-Dinitrobenzotrifluoride
2-Chloro-1,5-dinitro-3-(trifluoromethyl)-benzene
2-chloro-3,5-dinitrobenzo trifluoride
2,4-dinitro-6-trifluoromethylphenyl chloride
2-Chlorine-3.5-binitrobenzotrifluoride
2-CHLORO-3,5-BINITROTRIFLUOROTOLUENE
2-Chloro-3,5-dinitro
2-Choro-3,5-dinitrobe

MDL Number

MFCD00007076

Customs Code

2904909090

FAQ

What are the physical and chemical properties of 2-Chloro-1,5-dinitro-3-(trifluoromethyl)benzene (CAS: 392-95-0)?

2-Chloro-1,5-dinitro-3-(trifluoromethyl)benzene is a crystalline solid with a molecular weight of approximately 340.01 g/mol. It has low water solubility (less than 1 g/L) and a high melting point around 220°C. This compound is highly reactive due to the presence of nitro and trifluoromethyl groups, which can participate in various chemical reactions, including nitration and reduction.

How is 2-Chloro-1,5-dinitro-3-(trifluoromethyl)benzene (CAS: 392-95-0) typically synthesized?

2-Chloro-1,5-dinitro-3-(trifluoromethyl)benzene is usually synthesized by nitration of 2-chloro-1,3-dinitrobenzene followed by fluorination. The reaction involves the use of nitric acid and sulfuric acid as reagents for nitration, and triflic anhydride for fluorination. The process typically yields high selectivity and excellent purity.

What industries use 2-Chloro-1,5-dinitro-3-(trifluoromethyl)benzene (CAS: 392-95-0)?

2-Chloro-1,5-dinitro-3-(trifluoromethyl)benzene is used in the pharmaceutical industry for the synthesis of certain drugs, particularly those involving nitro and halogen functionalities. It is also utilized in the polymer and semiconductor industries for specific applications requiring high reactivity and stability.

What precautions should be taken when handling 2-Chloro-1,5-dinitro-3-(trifluoromethyl)benzene (CAS: 392-95-0)?

Handling 2-Chloro-1,5-dinitro-3-(trifluoromethyl)benzene requires strict safety measures. Wear appropriate personal protective equipment (PPE), including gloves, goggles, and a respirator. Work in a fume hood due to its volatility and reactivity. Ensure proper storage in a cool, dry place away from incompatible substances. In case of a spill, follow the safety data sheet (SDS) guidelines for disposal and clean-up.