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

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Names

[ CAS No. ]:
87691-87-0

[ Name ]:
3-(1-Piperazinyl)-1,2-benzisothiazole

[Synonym ]:
3-(1-Piperazinyl)-1,2-benzothiazole
3-piperazin-1-yl-1,2-benzothiazole
MFCD04117970
Lurasidone Impurity 13

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
320.2±35.0 °C at 760 mmHg

[ Melting Point ]:
91 °C

[ Molecular Formula ]:
C11H13N3S

[ Molecular Weight ]:
219.306

[ Flash Point ]:
147.4±25.9 °C

[ Exact Mass ]:
219.083023

[ PSA ]:
56.40000

[ LogP ]:
1.41

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.656

[ Storage condition ]:
2-8°C

MSDS

Safety Information

[ Symbol ]:

GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H301-H315-H319

[ Precautionary Statements ]:
P301 + P310-P305 + P351 + P338

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
25-36/38

[ Safety Phrases ]:
26-45

[ RIDADR ]:
UN 2811 6.1 / PGIII

[ WGK Germany ]:
3.0

[ HS Code ]:
2934200090

Synthetic Route

Precursor & DownStream

Precursor

  • Piperazine
  • 3-Chlor-1,2-benzisothiazol
  • 2-[(2-carbonochloridoylphenyl)disulfanyl]benzoyl chloride
  • 2,2′-dithiodibenzoic acid
  • Benzoyl chloride, 2-(chlorothio)- (9CI)
  • Benzisothiazolone

DownStream

  • 4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butan-1-amine
  • 2-piperazin-1-yl-benzothiazole
  • Lurasidone Impurity 14
  • 3-piperazin-1-yl-1,2-benzothiazole 1,1-dioxide
  • 1,1-DIMETHYLETHYL 4-(1,2-BENZISOTHIAZOLE-3-YL)-1-PIPERAZINECARBOXYLATE
  • Ziprasidone HCl
  • 3-piperazin-1-yl-1,2-benzothiazole 1-oxide
  • 8-((3-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)propyl)oxy)-8-azaspiro(4.5)decane-7,9-dione

Customs

[ HS Code ]: 2934999090

[ Summary ]:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%


Related Compounds

  • 3-(1-piperazinyl)-1,2-Benzisothiazole hydrochloride
  • 3-(1-PIPERAZINYL)-1,2-BENZISOTHIAZOLE MONOHYDRIODIDE
  • 3-(1-Piperazinyl)-1,2-propanediol
  • 3-[4-[2-(2,5-Dichloro-4-nitrophenyl)ethenyl]-1-piperazinyl]-1,2-benzisothiazole
  • 3-[4-[2-(2,5-Dichloro-4-nitrophenyl)ethyl]-1-piperazinyl]-1,2-benzisothiazole
  • 7-Bromo-3-(1-piperazinyl)-1,2-benzothiazole