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

Modify Date: 2024-01-09 23:10:54

$2-(7,9,9-trioxo-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5-trien-8-yl)acetonitrile Structure$ 2-(7,9,9-trioxo-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5-trien-8-yl)acetonitrile structure	Common Name	2-(7,9,9-trioxo-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5-trien-8-yl)acetonitrile
	CAS Number	52188-12-2	Molecular Weight	222.22100
	Density	1.547g/cm3	Boiling Point	462.2ºC at 760 mmHg
	Molecular Formula	C₉H₆N₂O₃S	Melting Point	142ºC
	MSDS	N/A	Flash Point	233.3ºC

Name	2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetonitrile
Synonym	More Synonyms

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

Hazard Codes	Xn:Harmful;
Risk Phrases	R20/21/22
Safety Phrases	S36/37
HS Code	2934999090

2-chloroacetonitrile

CAS#:107-14-2

Saccharin

CAS#:81-07-2

~82%

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

2-(7,9,9-trioxo...

CAS#:52188-12-2

Literature: D'Ascenzio, Melissa; Carradori, Simone; De Monte, Celeste; Secci, Daniela; Ceruso, Mariangela; Supuran, Claudiu T. Bioorganic and Medicinal Chemistry, 2014 , vol. 22, # 6 p. 1821 - 1831

2-chloroacetonitrile

CAS#:107-14-2

3-oxo-1,2-benzo...

CAS#:77697-00-8

~80%

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

2-(7,9,9-trioxo...

CAS#:52188-12-2

Literature: Schapira, Celia B.; Perillo, Isabel A. Journal of Heterocyclic Chemistry, 1993 , vol. 30, # 4 p. 1051 - 1056

Saccharin

CAS#:81-07-2

Bromoacetonitrile

CAS#:590-17-0

~52%

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

2-(7,9,9-trioxo...

CAS#:52188-12-2

Literature: Getz, John J.; Prankerd, Richard J.; Sloan, Kenneth B. Journal of Organic Chemistry, 1993 , vol. 58, # 18 p. 4913 - 4918

Sodium Saccharin

CAS#:128-44-9

2-chloroacetonitrile

CAS#:107-14-2

~76%

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

2-(7,9,9-trioxo...

CAS#:52188-12-2

Literature: Rode, Haridas B.; Sprang; Besch; Loose; Otto, Hans-Hartwig Pharmazie, 2005 , vol. 60, # 10 p. 723 - 731

Sodium Saccharin

CAS#:128-44-9

Bromoacetonitrile

CAS#:590-17-0

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

2-(7,9,9-trioxo...

CAS#:52188-12-2

Literature: Journal of the American Chemical Society, , vol. 77, p. 5628

Sodium Saccharin

CAS#:128-44-9

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

2-(7,9,9-trioxo...

CAS#:52188-12-2

Literature: Journal of Heterocyclic Chemistry, , vol. 30, # 4 p. 1051 - 1056

Precursor 5
CAS#:107-14-2 2-chloroacetonitrile CAS#:81-07-2 Saccharin CAS#:77697-00-8 3-oxo-1,2-benzo... CAS#:590-17-0 Bromoacetonitrile
CAS#:128-44-9 Sodium Saccharin
DownStream 0

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

3-oxo-1,2-benzoisothiazoline-2-acetonitrile 1,1-dioxide

saccharin-2-acetonitrile

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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