1-(4-iodobenzyl)-1H-1,2,4-triazole

Base Information

• Chemical Name: 1-(4-iodobenzyl)-1H-1,2,4-triazole
• CAS No.: 864068-93-9
• Molecular Formula: C9H8 I N3
• Molecular Weight: 285.08
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID00428765
• Wikidata: Q82241586
• Mol file: 864068-93-9.mol

Synonyms:1-(4-iodobenzyl)-1H-1,2,4-triazole;864068-93-9;1-[(4-iodophenyl)methyl]-1,2,4-triazole;1-[(4-iodophenyl)methyl]-1H-1,2,4-triazole;DTXSID00428765;MFCD08060477;AS-9783;CS-0330826;FT-0731284;A915170

Chemical Property of 1-(4-iodobenzyl)-1H-1,2,4-triazole

Chemical Property:

• Vapor Pressure: 5.62E-06mmHg at 25°C
• Melting Point: 82 °C
• Refractive Index: 1.707
• Boiling Point: 380°C at 760 mmHg
• Flash Point: 183.6°C
• PSA: 30.71000
• Density: 1.8g/cm³
• LogP: 1.93100
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 284.97629
• Heavy Atom Count: 13
• Complexity: 157

Purity/Quality:

98%min ^*data from raw suppliers

1-(4-Iodobenzyl)-1H-1,2,4-triazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CN2C=NC=N2)I