13182-89-3

Name Benzoylmetronildazole
CAS 13182-89-3
EINECS(EC#) 236-131-7
Molecular Formula C13H15N3O5
MDL Number MFCD00239523
Molecular Weight 293.28
MOL File 13182-89-3.mol
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Chemical Properties

Appearance White or slightly yellowish, crystalline powder or flakes.
Melting point  100 °C
Boiling point  487.7±25.0 °C(Predicted)
density  1.31±0.1 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
solubility  Practically insoluble in water, freely soluble in methylene chloride, soluble in acetone, slightly soluble in alcohol.
form  neat
pka 2.44±0.34(Predicted)
color  White to Off-White
Major Application pharmaceutical
pharmaceutical small molecule
InChI InChI=1S/C13H13N3O4/c1-10-14-9-12(16(18)19)15(10)7-8-20-13(17)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3
InChIKey CUUCCLJJOWSASK-UHFFFAOYSA-N
SMILES N1(CCOC(=O)C2C=CC=CC=2)C(C)=NC=C1[N+]([O-])=O
CAS DataBase Reference 13182-89-3(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338
WGK Germany  WGK 3
HS Code  2933290000
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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