39181-55-0

Name 2-AMINO-5-(4-FLUOROBENZYL)-1,3,4-THIADIAZOLE
CAS 39181-55-0
Molecular Formula C9H8FN3S
MDL Number MFCD01364163
Molecular Weight 209.24
MOL File 39181-55-0.mol
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Chemical Properties

Melting point  205-207 °C(Solv: ethanol (64-17-5))
Boiling point  390.0±44.0 °C(Predicted)
density  1.383±0.06 g/cm3(Predicted)
form  solid
pka 3.33±0.10(Predicted)
InChI 1S/C9H8FN3S/c10-7-3-1-6(2-4-7)5-8-12-13-9(11)14-8/h1-4H,5H2,(H2,11,13)
InChIKey XHFWYSOJZBOIDC-UHFFFAOYSA-N
SMILES NC1=NN=C(CC2=CC=C(C=C2)F)S1

Safety Data

Hazard Codes  Xi,Xn
Risk Statements 
WGK Germany  WGK 3
HazardClass  IRRITANT
HS Code  2934100090
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

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