2,3,6-Trichloro-4-(trifluoromethyl)aniline

Basic Information

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CAS Number

86399-04-4

Molecular Formula

C7H3Cl3F3N

Molecular Weight

264.46 g/mol

Basic Physical Properties

Boiling Point

251 ºC

Density

1.641

Flash Point

106 ºC

SMILES

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c1c(c(c(c(c1Cl)N)Cl)Cl)C(F)(F)F

InChI

InChI=1S/C7H3Cl3F3N/c8-3-1-2(7(11,12)13)4(9)5(10)6(3)14/h1H,14H2

InChIKey

OFOAHTJXJLENGQ-UHFFFAOYSA-N

LogP

4.247800000000001

Topological Polar Surface Area

26.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 1

Synonyms & References

English

2,3,6-Trichloro-4-(trifluoromethyl)aniline
2,3,6-Trichloro-4-trifluoromethylphenylamine
2,3,6-trichloro-4-(trifluoromethyl)aniline

MDL Number

MFCD04972973

FAQ

What are the physical and chemical properties of 2,3,6-Trichloro-4-(trifluoromethyl)aniline (CAS: 86399-04-4)?

2,3,6-Trichloro-4-(trifluoromethyl)aniline is a crystalline solid with a molecular weight of approximately 314.01 g/mol. It has low water solubility, with a maximum solubility of about 0.03 g/L at 20°C. The compound is known for its high reactivity, particularly towards nucleophiles and electrophiles. It is also unstable at high temperatures and in the presence of moisture.

How is 2,3,6-Trichloro-4-(trifluoromethyl)aniline (CAS: 86399-04-4) typically synthesized?

2,3,6-Trichloro-4-(trifluoromethyl)aniline can be synthesized via the reduction of 2,3,6-trichloro-4-nitroaniline with a suitable reducing agent like sodium borohydride or lithium aluminum hydride. The key synthetic steps involve nitration of aniline followed by chlorination and trifluoromethylation, with careful control of reaction conditions to achieve high yield and selectivity.

What industries use 2,3,6-Trichloro-4-(trifluoromethyl)aniline (CAS: 86399-04-4)?

2,3,6-Trichloro-4-(trifluoromethyl)aniline is primarily used in the pharmaceutical industry for the synthesis of active pharmaceutical ingredients. It also has applications in the polymer industry for the production of special polymers, and in sensors and semiconductors for specific functional materials. Its unique chemical properties make it valuable in these specialized fields.

What precautions should be taken when handling 2,3,6-Trichloro-4-(trifluoromethyl)aniline (CAS: 86399-04-4)?

When handling 2,3,6-Trichloro-4-(trifluoromethyl)aniline, it is crucial to wear appropriate 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. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be thoroughly rinsed. Always refer to the Safety Data Sheet (SDS) for detailed safety instructions and emergency procedures.