1,2,5-Trifluoro-3-nitrobenzene

Basic Information

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CAS Number

66684-57-9

Molecular Formula

C6H2F3NO2

Molecular Weight

177.08 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

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

SMILES

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

InChI

InChI=1S/C6H2F3NO2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H

InChIKey

MXOQPGDHOAMPJW-UHFFFAOYSA-N

LogP

2.53530

Complexity

184

Synonyms & References

English

EINECS 266-446-5
SCHEMBL1999340
A835522
AKOS006272789
BCP20968
NS00053602
1,2,5-Trifluoro-3-nitrobenzene
MFCD00456804
2,3,5-Trifluoronitrobenzene
AMY7635
1,2,5-trifluoro-3-nitro-benzene
CS-W006827
GS-3824
SY112286
AC-1505
DTXSID80985260
FT-0654269
66684-57-9
2,3,5-TRIFLUORO NITROBENZENE
Benzene,1,2,5-trifluoro-3-nitro-
PubChem1070
CM12314
AS04467
1,2,5-tris(fluoranyl)-3-nitro-benzene
BC675796
ST2414741
AB0026155
W

MDL Number

MFCD00456804

Customs Code

2904909090

FAQ

What are the physical and chemical properties of 1,2,5-Trifluoro-3-nitrobenzene (CAS: 66684-57-9)?

1,2,5-Trifluoro-3-nitrobenzene is a crystalline solid with a high melting point and a molecular weight of approximately 214.08 g/mol. It is moderately soluble in common organic solvents like acetic acid and acetone. The compound exhibits good reactivity towards nucleophiles, making it suitable for substitution reactions. It is also known for its stability in the presence of oxidizing agents.

How is 1,2,5-Trifluoro-3-nitrobenzene (CAS: 66684-57-9) typically synthesized?

1,2,5-Trifluoro-3-nitrobenzene can be synthesized via the nitration of 1,2,5-trifluorobenzene in the presence of concentrated sulfuric acid as a catalyst. The reaction is carried out at elevated temperatures to ensure the nitration proceeds selectively. The product is then purified by recrystallization from suitable solvents.

What industries use 1,2,5-Trifluoro-3-nitrobenzene (CAS: 66684-57-9)?

1,2,5-Trifluoro-3-nitrobenzene is primarily used in the pharmaceutical industry for the synthesis of various medicinal compounds. It also finds applications in the polymer industry as a precursor for the production of fluorinated polymers. Additionally, it is used in the development of sensors and as an intermediate in semiconductor manufacturing processes.

What precautions should be taken when handling 1,2,5-Trifluoro-3-nitrobenzene (CAS: 66684-57-9)?

When handling 1,2,5-Trifluoro-3-nitrobenzene, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure to vapors. Spills should be handled with care, using appropriate absorbents, and the area should be thoroughly cleaned. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety guidelines.