1H-1,2,4-Triazole,1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]- | CAS No. 135319-73-2

1H-1,2,4-Triazole,1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-

Basic Information

CAS Number

135319-73-2

Molecular Formula

C17H13ClFN3O

Molecular Weight

329.76 g/mol

AD

Basic Physical Properties

Fc1ccc(cc1)[C@@]1(Cn2cncn2)O[C@H]1c1ccccc1Cl

InChI

InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2/t16-,17+/m0/s1

InChIKey

ZMYFCFLJBGAQRS-DLBZAZTESA-N

LogP

3.7376000000000023

Topological Polar Surface Area

43.24 Ų

Hydrogen Bond Donor/Acceptor

0 / 4

Synonyms & References

English

  • Epoxiconazol
  • (2RS, 3SR)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-{(1H-1,2,4-triazol-1-yl)methyl}oxirane
  • (2RS,3RS)-1-(3-(2-chlorophenyl)-2,3-epoxy-2-(4-fluorophenyl)propyl)-1H-1,2,4-triazole
  • cis-1-((3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl)methyl)-1H-1,2,4-triazole
  • Opus
  • EPOXICONAZOL PESTANAL, 250 MG
  • 1H-1,2,4-Triazole, 1-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranylmethyl-
  • rel-1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]- 1H-1,2,4-Triazole
  • Epoxiconazole (2RS,3SR)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-[(1H-1,2,4-triazol-1-yl)methyl]oxirane
  • (2RS, 3SR)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-[(1H-1, 2, 4-triazol-1-yl) methyl] oxirane
  • (2RS,3RS)-1-[3-(2-chlorophenyl)-2,3-epoxy-2(4-fluorophenyl)propyl]-1H-1,2,4-triazole
  • epoxiconazole
  • (2RS,3SR)-1-[3-(2-chlorophenyl)-2,3-epoxy-2-(4-fluorophenyl)propyl]-1H-1,2,4-triazole
  • (2RS,3RS)-1-[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl-methyl]-1H-1,2,4-triazole
  • 1-((3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole
  • 2-(1,2,4-triazol-1-ylmethyl)-2-(4-fluorophenyl)-3-(2-chlorophenyl)-oxirane
  • 3-(2-chloro-phenyl)-2-(4-fluoro-phenyl)-2-(1,2,4-triazol-1-yl-methyl)-oxirane
  • Epoxiconazole 100 ng
  • epoxyconazole

MDL Number

MFCD01310636

Customs Code

2933199090

FAQ

What are the physical and chemical properties of 1H-1,2,4-Triazole,1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl] (CAS: 135319-73-2)?

1H-1,2,4-Triazole,1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl] is a solid compound with a molecular weight of approximately 394.03 g/mol. It has a high melting point and is poorly soluble in water but soluble in organic solvents like DMSO. The compound is known for its reactivity, particularly in nucleophilic substitution reactions.

How is 1H-1,2,4-Triazole,1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl] (CAS: 135319-73-2) typically synthesized?

This compound is synthesized via a multi-step process involving the condensation of 2-chlorophenyl and 4-fluorophenyl oxirane with 1,2,4-triazole. Commonly, this involves the use of a Lewis acid catalyst, such as aluminum chloride, to facilitate the cyclization reaction, leading to high yields and good selectivity.

What industries use 1H-1,2,4-Triazole,1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl] (CAS: 135319-73-2)?

This compound is primarily used in the pharmaceutical industry for the development of new drugs and in the polymer industry for the synthesis of functional polymers. It also finds application in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 1H-1,2,4-Triazole,1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl] (CAS: 135319-73-2)?

Handling this compound requires the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbent materials, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for detailed safety guidelines.

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