2-(Trifluoromethyl)benzimidazole Structure

2-(Trifluoromethyl)benzimidazole

Chemical Properties

Melting point 208-211 °C(lit.)
Boiling point 262.8±40.0 °C(Predicted)
Density  1.3658 (estimate)
storage temp.  Inert atmosphere,Room Temperature
pka 9.25±0.10(Predicted)
Appearance Light brown to off-white Solid
Water Solubility  PRACTICALLY INSOLUBLE
InChI InChI=1S/C8H5F3N2/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4H,(H,12,13)
InChIKey MXFMPTXDHSDMTI-UHFFFAOYSA-N
SMILES C1(C(F)(F)F)NC2=CC=CC=C2N=1
CAS DataBase Reference 312-73-2(CAS DataBase Reference)
FDA UNII CW4L3FK245
NIST Chemistry Reference 2-Trifluoromethylbenzimidazole(312-73-2)

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P305+P351+P338
Hazard Codes  T,Xi
Risk Statements  23/24/25-36/37/38
Safety Statements  22-26-36/37/39-45-28A
RIDADR  UN 2811 6.1/PG 2
WGK Germany  3
RTECS  DE1576000
HazardClass  6.1(a)
PackingGroup  II
HS Code  29332900
NFPA 704:
3 0

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2-(Trifluoromethyl)benzimidazole Spectrum