1-(4-(bromomethyl)phenyl)-1H-1,2,4-triazole

Base Information

• Chemical Name: 1-(4-(bromomethyl)phenyl)-1H-1,2,4-triazole
• CAS No.: 58419-69-5
• Molecular Formula: C9H8 Br N3
• Molecular Weight: 319
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50380122
• Wikidata: Q72447698
• Mol file: 58419-69-5.mol

Synonyms:58419-69-5;1-(4-(bromomethyl)phenyl)-1H-1,2,4-triazole;1-[4-(Bromomethyl)Phenyl]-1H-1,2,4-Triazole;1-[4-(bromomethyl)phenyl]-1,2,4-triazole;1H-1,2,4-Triazole, 1-[4-(bromomethyl)phenyl]-;SCHEMBL676381;DTXSID50380122;NOUAEJFAVOHNSY-UHFFFAOYSA-N;MFCD02681943;AKOS015901995;DS-14003;FT-0607135;C75735;1-[4-(bromomethyl)phenyl]-1H-1,2,4-triazol;1-(4-bromomethyl-phenyl)-1H-[1,2,4]-triazole;1-[4-(bromo-methyl)phenyl]-1H-1,2,4-triazole;1-[4-(bromomethyl)-phenyl]-1h-1,2,4-triazole;A831872;1-[4-(Bromomethyl)phenyl]-1H-1,2,4-triazole, AldrichCPR

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

Chemical Property:

• Vapor Pressure: 1.49E-05mmHg at 25°C
• Melting Point: 280 °C
• Boiling Point: 366.2°Cat760mmHg
• PKA: 2.26±0.10(Predicted)
• Flash Point: 175.3°C
• PSA: 30.71000
• Density: 1.55g/cm³
• LogP: 3.12030
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 236.99016
• Heavy Atom Count: 13
• Complexity: 157

Purity/Quality:

99.3% ^*data from raw suppliers

1-(4-(Bromomethyl)phenyl)-1H-1,2,4-triazole 95+% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: R34:Causes burns.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CBr)N2C=NC=N2