2-(1-Methyl-5-nitro-1H-imidazol-2-yl)-propan-2-ol Structure

2-(1-Methyl-5-nitro-1H-imidazol-2-yl)-propan-2-ol

Chemical Properties

Melting point 108-110°C
Boiling point 367.7±22.0 °C(Predicted)
Density  1.34±0.1 g/cm3(Predicted)
storage temp.  -20°C Freezer
solubility  Chloroform (Slightly), Methanol (Slightly)
pka 13.44±0.29(Predicted)
color  Yellow to Orange
Major Application forensics and toxicology
pharmaceutical (small molecule)
InChI 1S/C7H11N3O3/c1-7(2,11)6-8-4-5(9(6)3)10(12)13/h4,11H,1-3H3
InChIKey DTHPMNDYKOSVFR-UHFFFAOYSA-N
SMILES Cn1c(cnc1C(C)(C)O)[N+]([O-])=O
FDA UNII 8775PKJ47U
UNSPSC Code 41116107
NACRES NA.24

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302
Precautionary statements P264-P270-P301+P312-P501
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

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