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87691-87-0

Name 3-(1-Piperazinyl)-1,2-benzisothiazole
CAS 87691-87-0
EINECS(EC#) 618-048-1
Molecular Formula C11H13N3S
MDL Number MFCD04117970
Molecular Weight 219.31
MOL File 87691-87-0.mol
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Chemical Properties

Melting point  89.0 to 93.0 °C
Boiling point  320.2±35.0 °C(Predicted)
density  1.256
storage temp.  2-8°C
solubility  soluble in Methanol
form  powder to crystal
pka 8.52±0.10(Predicted)
color  White to Light yellow
BRN  4253627
InChI InChI=1S/C11H13N3S/c1-2-4-10-9(3-1)11(13-15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2
InChIKey KRDOFMHJLWKXIU-UHFFFAOYSA-N
SMILES S1C2=C(C=CC=C2)C(N2CCNCC2)=N1
LogP 2.14
CAS DataBase Reference 87691-87-0(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
Safety Statements 
RIDADR  UN 2811 6.1 / PGIII
WGK Germany  3
HazardClass  IRRITANT
HS Code  29349990

Hazard Information

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