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3-(1-Piperazinyl)-1,2-benzisothiazole Structure

3-(1-Piperazinyl)-1,2-benzisothiazole

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)
FDA UNII 59D8RAT1F9

Safety

Symbol(GHS) GHS hazard pictograms
Signal wordDanger
Hazard statements H301-H315-H319
Precautionary statements P301+P310+P330-P302+P352-P305+P351+P338
Hazard Codes  Xi,T
Risk Statements  25-36/38
Safety Statements  26-45
RIDADR  UN 2811 6.1 / PGIII
WGK Germany  3
HazardClass  IRRITANT
HS Code  29349990
NFPA 704:
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