4-Chloro-1-nitro-2-(trifluoromethyl)benzene

Basic Information

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CAS Number

118-83-2

Molecular Formula

C7H3ClF3NO2

Molecular Weight

225.55 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

21 ºC

Boiling Point

224°C

Water Solubility

168 mg/L (20 ºC)

Refractive Index

n20/D 1.499(lit.)

Vapor Pressure

0.1±0.4 mmHg at 25°C

SMILES

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

InChI

InChI=1S/C7H3ClF3NO2/c8-4-1-2-6(12(13)14)5(3-4)7(9,10)11/h1-3H

InChIKey

CFPIGEXZPWTNOR-UHFFFAOYSA-N

LogP

3.79020

Complexity

228

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 6.1 Class 6.1

Synonyms & References

English

4-Chloro-1-nitro-2-(trifluoromethyl)benzene, 99%
TOLUENE, 5-CHLORO-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-2-NITRO-
AC-3242
4-Chloro-1-nitro-2-(trifluoromethyl)benzene #
4-chloro-2-trifluoromethylnitrobenzene
2-nitro-5-chloro-trifluoromethylbenzene
5-chloro-I+/-,I+/-,I+/--trifluoro-2-nitrotoluene
3-trifluoromethyl-4-nitrochlorobenzene
Z104477482
F0001-0298
3-chloro-6-nitrobenzotrifluoride
AKOS000120880
EN300-20250
5-CHLORO-2-NITRO(TRIFLUOROMETHYL)BENZENE
UNII-NN9BZF8WYA
2-nitro-5-chloro trifluoromethylbenzene
4-Chloro-1-nitro-2-(trifluoromethyl)benzene
5-chloro-2-nitro-a,a,a-trifluorotoluene
DTXSID30151998
AKOS015888125
SCHEMBL17347346
AMY8809
SCHEMBL3610741
EC 204-280-7
5-Chloro-2-nitrobenzotrifluoride
2-nitro-5-chlorobenzotrifluoride
5-Chloro-alpha,alpha,alpha-trifluoro-2-nitrotoluene
NN9BZF8WYA
NS00008876
4-NITRO-3-TRIFLUOROMETHYL-1-CHLOROBENZENE
CS-W002028

MDL Number

MFCD00007298

Customs Code

2904909090

FAQ

What are the physical and chemical properties of 4-Chloro-1-nitro-2-(trifluoromethyl)benzene (CAS: 118-83-2)?

4-Chloro-1-nitro-2-(trifluoromethyl)benzene (CAS: 118-83-2) is a crystalline solid with a molecular weight of approximately 274.61 g/mol. It has a low solubility in water but is soluble in organic solvents like dichloromethane and acetonitrile. This compound is moderately reactive, particularly due to the presence of the nitro and trifluoromethyl groups, which can undergo substitution and reduction reactions under certain conditions.

How is 4-Chloro-1-nitro-2-(trifluoromethyl)benzene (CAS: 118-83-2) typically synthesized?

4-Chloro-1-nitro-2-(trifluoromethyl)benzene (CAS: 118-83-2) can be synthesized via the nitration of 4-chloro-2-(trifluoromethyl)benzene using concentrated nitric acid and sulfuric acid as the nitration reagents. The nitration typically occurs at low temperatures to control the reaction selectivity. The yield is generally high, and the product can be purified by recrystallization from an appropriate solvent.

What industries use 4-Chloro-1-nitro-2-(trifluoromethyl)benzene (CAS: 118-83-2)?

4-Chloro-1-nitro-2-(trifluoromethyl)benzene (CAS: 118-83-2) is used in the pharmaceutical industry as an intermediate in the synthesis of certain drugs. It also has applications in the production of polymers, where its unique chemical structure allows for the development of specialized materials. Additionally, this compound is employed in the manufacturing of sensors and semiconductors due to its high reactivity and specific physical properties.

What precautions should be taken when handling 4-Chloro-1-nitro-2-(trifluoromethyl)benzene (CAS: 118-83-2)?

When handling 4-Chloro-1-nitro-2-(trifluoromethyl)benzene (CAS: 118-83-2), it is crucial to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be thoroughly washed. The safety data sheet (SDS) should be consulted for specific handling and disposal guidelines.