4-Fluorbenzolsulfonsure

NSC43021 · p-Fluorophenylsulfonic acid · p-Fluorobenzenesulfonic acid · 4-FLUOROBENZENESULFONIC ACID · 4-fluorobenzenesulphonic acid · Benzenesulfonic acid, 4-fluoro- · Benzene-1-fluoro-4-sulfonic acid

https://huagongshe.com/de/chemical/46886

Molekülstruktur von 4-Fluorbenzolsulfonsure

Identifikatoren & physikalische Daten

CAS No.	368-88-7
Summenformel	C6H5FO3S
Durchschnittliche Molmasse	176,17 g/mol
Monoisotopische Masse	175,99434324 g/mol
SMILES	O=S(=O)(O)c1ccc(F)cc1
InChIKey	WVSYONICNIDYBE-UHFFFAOYSA-N
PubChem CID	46886
EC No.	206-714-0
DTXSID	DTXSID80190276
Lokaler Name	4-Fluorbenzolsulfonsure

Chemische & physikalische Eigenschaften

XLogP	0,8
Polarare Oberfläche (TPSA)	62,8
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	1
Schwere Atome	11
Formalladung	0
Komplexität	210
Schmelzpunkt	87℃
Dichte	1.513
Lagerbedingungen	Sealed in dry,Room Temperature
Aggregatzustand	solid
pKa (Säurekonstante)	-0.66±0.50(Predicted)
Farbe	White
Löslichkeit	434.9g/L(21.3 ºC)
InChI	InChI=1S/C6H5FO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10)
InChIKey	WVSYONICNIDYBE-UHFFFAOYSA-N
SMILES	C1(S(O)(=O)=O)=CC=C(F)C=C1
CAS Datenbank	368-88-7(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Zollcode	2904100090

Anwendungen & Verwendung

Verwenden

4-Fluorobenzenesulphonic Acid is used as a reactant in the synthesis of HCV inhibitors based on thiazolone scaffold.