3-(1H-1,2,4-Triazol-1-yl)benzaldehyde

Base Information

• Chemical Name: 3-(1H-1,2,4-Triazol-1-yl)benzaldehyde
• CAS No.: 868755-54-8
• Molecular Formula: C9H7N3O
• Molecular Weight: 173.17
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70594502
• Wikidata: Q82489346
• Mol file: 868755-54-8.mol

Synonyms:3-(1H-1,2,4-Triazol-1-yl)benzaldehyde;868755-54-8;3-(1,2,4-triazol-1-yl)benzaldehyde;MFCD08271896;Benzaldehyde,3-(1H-1,2,4-triazol-1-yl)-;SCHEMBL2039106;DTXSID70594502;YGKBHMJLDGOYPI-UHFFFAOYSA-N;AKOS013153813;3-[1,2,4]triazol-1-yl-benzaldehyde;PS-6182;AC-22883;SY003048;DB-021561;CS-0143630;EN300-75590;A841865;J-510423;3-(1H-1,2,4-triazol-1-yl)benzaldehyde, AldrichCPR

Chemical Property of 3-(1H-1,2,4-Triazol-1-yl)benzaldehyde

Chemical Property:

• Vapor Pressure: 7.77E-06mmHg at 25°C
• Melting Point: 115 °C
• Refractive Index: 1.642
• Boiling Point: 375.4 °C at 760 mmHg
• Flash Point: 180.9 °C
• PSA: 47.78000
• Density: 1.25 g/cm³
• LogP: 1.07980
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 173.058911855
• Heavy Atom Count: 13
• Complexity: 186

Purity/Quality:

98%min ^*data from raw suppliers

3-(1,2,4-Triazol-1-yl)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)N2C=NC=N2)C=O