5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile | CAS No. 120068-79-3

5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile

Basic Information

CAS Number

120068-79-3

Molecular Formula

C11H5Cl2F3N4

Molecular Weight

321.08 g/mol

AD

Basic Physical Properties

Melting Point

149.0 to 153.0 deg-C

C1=C(C=C(C(=C1Cl)N2C(=CC(=N2)C#N)N)Cl)C(F)(F)F

InChI

InChI=1S/C11H5Cl2F3N4/c12-7-1-5(11(14,15)16)2-8(13)10(7)20-9(18)3-6(4-17)19-20/h1-3H,18H2

InChIKey

QPZYPAMYHBOUTC-UHFFFAOYSA-N

LogP

4.23298

Complexity

398

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H411 Toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

  • MS-1402
  • SCHEMBL239495
  • 5amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole
  • 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
  • 5-Amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-1H-pyrazole-3-carbonitrile
  • Fipronil Detrifluoromethylsulfinyl
  • 5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl) pyrazole
  • EC 421-240-6
  • 5-Amino-3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol
  • AC-044
  • 5-amino-3-cyano-1-(2,6-dichlor-4-trifluoromethylphenyl)pyrazole
  • 5-amino-3-cyano-1-(2.6-dichloro-4-trifluoromethylphenyl)pyrazole
  • 5-amino-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole-3-carbonitrile
  • 5-amino-1-(2,6-dichloro-4-trifluoromethyl-phenyl)-1H-pyrazole-3-carbonitrile
  • FT-0642929
  • 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile
  • 5-Amino-3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole
  • 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-pyrazolecarbonitrile
  • MFCD00227537
  • AKOS005107303
  • CS-W002535
  • J-004250
  • 5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cycano pyrazole
  • DTXSID20391260
  • NS00077699
  • A804422
  • SY021310
  • 5-azanyl-1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
  • 5-Amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole
  • C11H5Cl2F3N4
  • 120068-79-3

MDL Number

MFCD00227537

Customs Code

2933199090

FAQ

What are the physical and chemical properties of 5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile (CAS: 120068-79-3)?

5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile (CAS: 120068-79-3) is a crystalline solid with a molecular weight of 413.84 g/mol. It has a melting point of 190-192°C and is poorly soluble in water. It is reactive towards nucleophiles and can undergo substitution reactions. This compound is stable under normal conditions but should be stored in a dry, cool place, away from direct sunlight.

How is 5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile (CAS: 120068-79-3) typically synthesized?

5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile (CAS: 120068-79-3) can be synthesized via a multistep process involving the chlorination of a starting material followed by amination and cyanation reactions. The synthesis typically requires Lewis acids as catalysts, and the overall process yields 70-75%. The reaction conditions should be carefully controlled to achieve high selectivity.

What industries use 5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile (CAS: 120068-79-3)?

5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile (CAS: 120068-79-3) is used in the pharmaceutical industry for its potential as a medicinal compound. It is also explored in the polymer industry for its electronic properties and in the semiconductor industry for its role as a dopant. Additionally, this compound may be used in sensor technology due to its reactivity.

What precautions should be taken when handling 5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile (CAS: 120068-79-3)?

When handling 5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile (CAS: 120068-79-3), it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to minimize inhalation risks. In case of a spill, it should be cleaned up immediately using appropriate methods and materials. Safety data sheets (SDS) should be consulted for detailed information on handling and storage.

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