53716-50-0

Name Oxfendazole
CAS 53716-50-0
EINECS(EC#) 258-714-5
Molecular Formula C12H15N3O3
MDL Number MFCD00133728
Molecular Weight 249.27
MOL File 53716-50-0.mol

Chemical Properties

Melting point  298-300?C
density  1.3229 (rough estimate)
refractive index  1.6740 (estimate)
storage temp.  2-8°C
solubility  DMF: slightly soluble; DMSO: 1 mg/ml; DMSO:PBS (pH 7.2) (1:4): 0.20 mg/ml
form  neat
pka 10.27±0.10(Predicted)
color  Crystals from chloroform-methanol
Usage A metabolite of Fenbendazole
Merck  14,6935
Major Application forensics and toxicology
pharmaceutical (small molecule)
InChI InChI=1S/C15H13N3O3S/c1-21-15(19)18-14-16-12-8-7-11(9-13(12)17-14)22(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)
InChIKey BEZZFPOZAYTVHN-UHFFFAOYSA-N
SMILES C(OC)(=O)NC1NC2=CC(S(C3=CC=CC=C3)=O)=CC=C2N=1
CAS DataBase Reference 53716-50-0(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Health Hazard (GHS08)Environment (GHS09)
GHS08,GHS09
Signal word  Danger
Hazard statements  H360D-H373-H410
Precautionary statements  P202-P260-P273-P280-P308+P313-P391
Risk Statements 
Safety Statements 
WGK Germany  3
RTECS  FD0835000
HS Code  29339900
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 1
Repr. 1B
STOT RE 2
Toxicity
LD50 in dogs, rats, mice: >1600, >6400, >6400 mg/kg (Averkin)

Raw materials And Preparation Products

Hazard Information

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