27933-36-4

Name BNPS-SKATOLE
CAS 27933-36-4
EINECS(EC#) 248-737-9
Molecular Formula C15H11BrN2O2S
MDL Number MFCD00037978
Molecular Weight 363.23
MOL File 27933-36-4.mol
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Chemical Properties

Boiling point  448.8±45.0 °C(Predicted)
density  1.57±0.1 g/cm3(Predicted)
storage temp.  −20°C
pka 2.45±0.40(Predicted)
InChI InChI=1S/C15H11BrN2O2S/c1-15(16)10-6-2-3-7-11(10)17-14(15)21-13-9-5-4-8-12(13)18(19)20/h2-9H,1H3
InChIKey BXTVQNYQYUTQAZ-UHFFFAOYSA-N
SMILES N1C2=C(C=CC=C2)C(Br)(C)C=1SC1=CC=CC=C1[N+]([O-])=O

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P271-P280
Safety Statements 
WGK Germany  3
F  10
HS Code  2933998090

Hazard Information

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