2-(4-Fluorobenzenesulfonyl)acetonitrile

4-Fluorophenylsu · AKOS BBS-00002847 · BUTTPARK 94\04-21 · 4-Fluorophenylsulfonylacetonitril · (4-FLUOROBENZENESULFONYL)ACETONITRILE · (4-FLUOROBENZENESULPHONYL)ACETONITRILE · [(4-Fluorophenyl)sulfonyl]acetonitrile · 4-Fluorophenylsulfonylacetonitrile, 97%

https://huagongshe.com/de/chemical/565732

Molekülstruktur von 2-(4-Fluorobenzenesulfonyl)acetonitrile

Identifikatoren & physikalische Daten

CAS No.	32083-66-2
Summenformel	C8H6FNO2S
Durchschnittliche Molmasse	199,2 g/mol
Monoisotopische Masse	199,01032765 g/mol
SMILES	N#CCS(=O)(=O)c1ccc(F)cc1
InChIKey	WBXJZTLPEMITJL-UHFFFAOYSA-N
PubChem CID	565732
EC No.	670-584-5
DTXSID	DTXSID80340572

Chemische & physikalische Eigenschaften

XLogP	1
Polarare Oberfläche (TPSA)	66,3
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	2
Schwere Atome	13
Formalladung	0
Komplexität	303
Schmelzpunkt	87 °C
Siedepunkt	390.5±42.0 °C(Predicted)
Dichte	1.370±0.06 g/cm3(Predicted)
Lagerbedingungen	Store at room temperature
Aggregatzustand	crystalline solid
Farbe	White
CAS Datenbank	32083-66-2(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH301 (16.7%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 3 (16.7%)
UN-Transportnummer	3276
Zollcode	2930909899
R-Sätze (R)	36/37/38
Gefahrensymbole	T
hazard_note	Toxic
Sicherheitshinweise (S)	26-36/37/39
Gefahrenklasse	6.1
Verpackungsgruppe	III

Anwendungen & Verwendung

Verwenden

4-Fluorophenylsulfonylacetonitrile is used to produce 3-(4-fluoro-benzenesulfonyl)-thiophen-2-ylamine with [1,4]dithiane-2,5-diol. It is also used as pharmaceutical intermediates.