2-(7,9,9-trioxo-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5-trien-8-yl)acetonitrile

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Names

[ CAS No. ]:
52188-12-2

[ Name ]:
2-(7,9,9-trioxo-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5-trien-8-yl)acetonitrile

[Synonym ]:
3-oxo-1,2-benzoisothiazoline-2-acetonitrile 1,1-dioxide
saccharin-2-acetonitrile

Chemical & Physical Properties

[ Density]:
1.547g/cm3

[ Boiling Point ]:
462.2ºC at 760 mmHg

[ Melting Point ]:
142ºC

[ Molecular Formula ]:
C9H6N2O3S

[ Molecular Weight ]:
222.22100

[ Flash Point ]:
233.3ºC

[ Exact Mass ]:
222.01000

[ PSA ]:
86.62000

[ LogP ]:
1.37338

[ Index of Refraction ]:
1.633

Safety Information

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R20/21/22

[ Safety Phrases ]:
S36/37

[ HS Code ]:
2934999090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-chloroacetonitrile
  • Saccharin
  • 3-oxo-1,2-benzoisothiazoline-2-(N,N-diethyl)acetamide 1,1-dioxide
  • Bromoacetonitrile
  • Sodium Saccharin

DownStream

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%