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5-(Difluoromethoxy)-2-mercapto-1H-benzimidazole Structure

5-(Difluoromethoxy)-2-mercapto-1H-benzimidazole

Chemical Properties

Melting point 239-243 °C(lit.)
Boiling point 303.5±52.0 °C(Predicted)
Density  1.52±0.1 g/cm3(Predicted)
storage temp.  Sealed in dry,Store in freezer, under -20°C
solubility  DMSO (Slightly), Methanol (Slightly)
pka 9.77±0.30(Predicted)
color  Pale Yellow
InChI InChI=1S/C8H6F2N2OS/c9-7(10)13-4-1-2-5-6(3-4)12-8(14)11-5/h1-3,7H,(H2,11,12,14)
InChIKey HJMVPNAZPFZXCP-UHFFFAOYSA-N
SMILES C1(=S)NC2=CC=C(OC(F)F)C=C2N1
CAS DataBase Reference 97963-62-7(CAS DataBase Reference)

Safety Information

Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36-36/37
WGK Germany  3
HazardClass  IRRITANT
HS Code  29339900
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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