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4-Phenylimidazole Structure

4-Phenylimidazole

  • Product Name4-Phenylimidazole
  • CAS670-95-1
  • CBNumberCB6252973
  • MFC9H8N2
  • MW144.17
  • EINECS211-580-1
  • MDL NumberMFCD00005197
  • MOL File670-95-1.mol

Chemical Properties

Melting point: 128-131 °C (lit.)
Boiling point: 252.78°C (rough estimate)
Density  1.1357 (rough estimate)
refractive index  1.6200 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  acetone: soluble25mg/mL, clear, colorless to yellow (typical)
form  powder to crystal
pka 13.58±0.10(Predicted)
color  White to Orange to Green
BRN  2969
InChI InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)
InChIKey XHLKOHSAWQPOFO-UHFFFAOYSA-N
SMILES C1NC(C2=CC=CC=C2)=CN=1
CAS DataBase Reference 670-95-1(CAS DataBase Reference)

Safety

Symbol(GHS)  Exclamation Mark (GHS07)
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs Respiratory system
PPE dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36-24/25
WGK Germany  3
F  10
HS Code  2933290090
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
NFPA 704:
0
1 0

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4-Phenylimidazole Chemical Properties,Usage,Production

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