2-Methyl-4-nitroimidazole Structure

2-Methyl-4-nitroimidazole

Chemical Properties

Melting point 251-255 °C(lit.)
Boiling point 235.85°C (rough estimate)
Density  1.4748 (rough estimate)
refractive index  1.5000 (estimate)
Flash point 195℃
storage temp.  2-8°C
solubility  DMSO (Sparingly), Methanol (Sparingly)
form  powder
pka 8.87±0.10(Predicted)
Appearance White to off-white Solid
Water Solubility  3.01g/L(20 ºC)
BRN  4032
Stability Stable. Incompatible with strong oxidizing agents.
Major Application forensics and toxicology
pharmaceutical (small molecule)
InChI 1S/C4H5N3O2/c1-3-5-2-4(6-3)7(8)9/h2H,1H3,(H,5,6)
InChIKey FFYTTYVSDVWNMY-UHFFFAOYSA-N
SMILES Cc1ncc([nH]1)[N+]([O-])=O
CAS DataBase Reference 696-23-1(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII 24AG2WW15W
EPA Substance Registry System 1H-Imidazole, 2-methyl-4-nitro- (696-23-1)
UNSPSC Code 41116107
NACRES NA.24

Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H302
Precautionary statements P264-P270-P301+P312-P501
Hazard Codes  Xn
Risk Statements  68-40-22
Safety Statements  36/37
WGK Germany  3
RTECS  NI7550000
TSCA  TSCA listed
HS Code  2933290000
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
NFPA 704:
1
2 0

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