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4-Allyl-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol Structure

4-Allyl-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol

  • Product Name4-Allyl-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol
  • CAS92286-36-7
  • CBNumberCB61494437
  • MFC11H10ClN3S
  • MW251.74
  • MDL NumberMFCD02255621
  • MOL File92286-36-7.mol

Chemical Properties

Boiling point: 339.6±52.0 °C(Predicted)
Density  1.32±0.1 g/cm3(Predicted)
pka 7.86±0.20(Predicted)
form  solid
InChI 1S/C11H10ClN3S/c1-2-6-15-10(13-14-11(15)16)8-4-3-5-9(12)7-8/h2-5,7H,1,6H2,(H,14,16)
InChIKey WPVJPFLNVCGFQS-UHFFFAOYSA-N
SMILES SC1=NN=C(C2=CC(Cl)=CC=C2)N1CC=C

Safety

WGK Germany  WGK 3
HS Code  2933990099
Storage Class 11 - Combustible Solids

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