4812-40-2

Name 1-(2-HYDROXYETHYL)-2-HYDROXYMETHYL-5-NITROIMIDAZOLE
CAS 4812-40-2
Molecular Formula C6H9N3O4
MDL Number MFCD01721480
Molecular Weight 187.15
MOL File 4812-40-2.mol
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Chemical Properties

Melting point  118-121°C
Boiling point  321.89°C (rough estimate)
density  1.4796 (rough estimate)
refractive index  1.5800 (estimate)
storage temp.  -20?C Freezer
solubility  DMSO (Sparingly), Methanol (Slightly)
form  neat
pka 13.28±0.10(Predicted)
color  White to Light Beige
Major Application forensics and toxicology
pharmaceutical (small molecule)
InChI InChI=1S/C6H9N3O4/c10-2-1-8-5(4-11)7-3-6(8)9(12)13/h3,10-11H,1-2,4H2
InChIKey AEHPOYAOLCAMIU-UHFFFAOYSA-N
SMILES C1(CO)N(CCO)C([N+]([O-])=O)=CN=1

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H335-H319-H315
Precautionary statements  P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety Statements 
WGK Germany  3
RTECS  NI5568000
HS Code  29332900
Storage Class 11 - Combustible Solids

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