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5-(4-Chloro-Phenoxymethyl)-4H-[1,2,4]Triazole-3-Thiol
[CAS# 113056-45-4]

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Identification
Name 5-(4-Chloro-Phenoxymethyl)-4H-[1,2,4]Triazole-3-Thiol
Synonyms Nci60_008122; 5-((4-Chlorophenoxy)Methyl)-1,2-Dihydro-3H-1,2,4-Triazole-3-Thione; Aids-132309
Molecular Structure CAS#: 113056-45-4, 5-(4-Chloro-Phenoxymethyl)-4H-[1,2,4]Triazole-3-Thiol
Molecular Formula C9H8ClN3OS
Molecular Weight 241.69
CAS Registry Number 113056-45-4
SMILES C2=C(OCC1=NC(=S)NN1)C=CC(=C2)Cl
InChI 1S/C9H8ClN3OS/c10-6-1-3-7(4-2-6)14-5-8-11-9(15)13-12-8/h1-4H,5H2,(H2,11,12,13,15)
InChIKey OIAHIKHIYQWBHQ-UHFFFAOYSA-N
Properties
Density 1.519g/cm3 (Cal.)
Boiling point 356.064°C at 760 mmHg (Cal.)
Flash point 169.142°C (Cal.)
Market Analysis Reports
List of Reports Available for 5-(4-Chloro-Phenoxymethyl)-4H-[1,2,4]Triazole-3-Thiol
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