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

Basic Information

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CAS Number

400-74-8

Molecular Formula

C7H3F4NO2

Molecular Weight

209.1 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

22-24°C

Boiling Point

110°C/25mmHg

Refractive Index

n20/D 1.465(lit.)

SMILES

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

InChI

InChI=1S/C7H3F4NO2/c8-6-2-1-4(12(13)14)3-5(6)7(9,10)11/h1-3H

InChIKey

DNTHMWUMRGOJRY-UHFFFAOYSA-N

LogP

3.27590

Complexity

225

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class Comb liq Class Comb liq

Synonyms & References

English

AM62309
DTXSID20193064
1-floro-4-nitro-2-trifluoromethylbenzene
alpha,alpha,alpha-2-Tetrafluorotoluene
F0373
EN300-247762
1-Fluoro-4-nitro-2-(trifluoromethyl)benzene
1-Fluoro-4-nitro-2-trifluoromethylbenzene
SY001777
FT-0612370
W-106392
400-74-8
SCHEMBL85544
1-fluoro-2-(trifluoromethyl)-4-nitrobenzene
1-fluoro-4-nitro-2-trifluoromethyl-benzene
NS00043141
2-Fluoro-5-nitrobenzotrifluoride
5-Nitro-alpha,alpha,alpha,2-tetrafluorotoluene
2-Fluoro-5-nitrobenzotrifluoride, 98%
EINECS 206-925-8
Benzene, 1-fluoro-4-nitro-2-(trifluoromethyl)-
UNII-QLT47ACG6N
NSC10302
AS-12346
NSC 10302
CS-W015175
AC-24716
QLT47ACG6N
1-Fluoro-4-nitro-2-(trifluoromethyl)benzene #
2-fluoro-5-nitro benzotrifluoride
1-fluoro4-nitro-2-trifluoromethyl-benzene

MDL Number

MFCD00024576

Customs Code

2904909090

FAQ

What are the physical and chemical properties of 1-Fluoro-4-nitro-2-(trifluoromethyl)benzene (CAS: 400-74-8)?

1-Fluoro-4-nitro-2-(trifluoromethyl)benzene is a crystalline solid with a molecular weight of approximately 261.04 g/mol. It has a melting point of 108-109°C and is only slightly soluble in water but soluble in common organic solvents like ethanol and acetone. The compound is highly reactive due to the presence of the nitro and trifluoromethyl groups, which make it a strong electrophile in chemical reactions.

How is 1-Fluoro-4-nitro-2-(trifluoromethyl)benzene (CAS: 400-74-8) typically synthesized?

1-Fluoro-4-nitro-2-(trifluoromethyl)benzene is typically synthesized by the nitration of 1-fluoro-2-(trifluoromethyl)benzene using a mixture of nitric and sulfuric acids. The reaction is carried out in a solvent like acetic acid at a temperature around 50°C. The product is then purified by recrystallization from a suitable solvent to obtain the crystalline form.

What industries use 1-Fluoro-4-nitro-2-(trifluoromethyl)benzene (CAS: 400-74-8)?

1-Fluoro-4-nitro-2-(trifluoromethyl)benzene is used in the pharmaceutical industry for the synthesis of certain drugs. It is also utilized in the polymer industry for the production of special polymers with enhanced properties. Additionally, it finds applications in the semiconductor industry as a precursor for the production of electronic materials and in the chemical sensors industry for developing gas-sensing devices.

What precautions should be taken when handling 1-Fluoro-4-nitro-2-(trifluoromethyl)benzene (CAS: 400-74-8)?

When handling 1-Fluoro-4-nitro-2-(trifluoromethyl)benzene, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood to avoid inhaling the vapors. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and storage information.