68337-15-5

Name 4-(1,2,4-TRIAZOL-1-YL)PHENOL
CAS 68337-15-5
EINECS(EC#) 269-845-2
Molecular Formula C8H7N3O
MDL Number MFCD00003096
Molecular Weight 161.16
MOL File 68337-15-5.mol
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Chemical Properties

Appearance beige-brownish powder
Melting point  254-257 °C
Boiling point  287.45°C (rough estimate)
density  1.2558 (rough estimate)
refractive index  1.6500 (estimate)
storage temp.  2-8°C, stored under nitrogen
solubility  DMSO (Slightly), Methanol (Slightly, Sonicated)
form  Solid
pka 9.09±0.26(Predicted)
color  Pale Brown to Light Brown
BRN  608492
InChI 1S/C8H7N3O/c12-8-3-1-7(2-4-8)11-6-9-5-10-11/h1-6,12H
InChIKey ZOPIBCDDKMAEII-UHFFFAOYSA-N
SMILES Oc1ccc(cc1)-n2cncn2
CAS DataBase Reference 68337-15-5(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S24/25:Avoid contact with skin and eyes .
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

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