112809-25-3

Name 4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile
CAS 112809-25-3
Molecular Formula C10H8N4
MDL Number MFCD07368016
Molecular Weight 184.2
MOL File 112809-25-3.mol
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Chemical Properties

Appearance White Solid
Melting point  69 °C
Boiling point  412.1±55.0 °C(Predicted)
density  1.19±0.1 g/cm3(Predicted)
storage temp.  Sealed in dry,2-8°C
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Solid
pka 2.52±0.10(Predicted)
color  White
InChI InChI=1S/C10H8N4/c11-5-9-1-3-10(4-2-9)6-14-8-12-7-13-14/h1-4,7-8H,6H2
InChIKey HQLYWHSJALKYOV-UHFFFAOYSA-N
SMILES C(#N)C1=CC=C(CN2C=NC=N2)C=C1
CAS DataBase Reference 112809-25-3(CAS DataBase Reference)

Safety Data

Hazard Codes  Xn
Risk Statements 
R10:Flammable.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
S16:Keep away from sources of ignition-No smoking .
S22:Do not breathe dust .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
HS Code  2933998090

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