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HCID 69997Erstellt: 25. Oktober 2026

benzo[b]thiophen-1,1-dioxid

BENZO[B]THIOPHENE 1,1-DIOXIDE · Benzothiophene 1,1-dioxide · AKOS 90176 · THIONAPHTHENE-1,1-DIOXIDE · Thianaphthene-1,1-dioxide · Benzo[b]thiophene sulfone · 1-BENZOTHIOPHENE 1,1-DIOXIDE · Thianaphthene-1,1-dioxide,99%

https://huagongshe.com/de/chemical/69997

Molekülstruktur von benzo[b]thiophen-1,1-dioxid

Identifikatoren & physikalische Daten

CAS No.825-44-5
SummenformelC8H6O2S
Durchschnittliche Molmasse166,2 g/mol
Monoisotopische Masse166,00885043 g/mol
SMILESO=S1(=O)C=Cc2ccccc21
InChIKeyFRJNKYGTHPUSJR-UHFFFAOYSA-N
PubChem CID69997
ChEMBLCHEMBL349894
ChEBICHEBI:194821
EC No.212-544-8
DTXSIDDTXSID00231796
Lokaler Namebenzo[b]thiophen-1,1-dioxid

Chemische & physikalische Eigenschaften

XLogP0,9
Polarare Oberfläche (TPSA)42,5
H-Brücken-Donoren0
H-Brücken-Akzeptoren2
Frei drehbare Bindungen0
Schwere Atome11
Formalladung0
Komplexität271
LogP (Verteilungskoeffizient)1.01
Schmelzpunkt138-142 °C
Siedepunkt264.41°C (rough estimate)
Dichte1.3123 (rough estimate)
Brechungsindex1.5500 (estimate)
LagerbedingungenSealed in dry,Room Temperature
AggregatzustandPowder
BRN116442
InChIInChI=1S/C8H6O2S/c9-11(10)6-5-7-3-1-2-4-8(7)11/h1-6H
InChIKeyFRJNKYGTHPUSJR-UHFFFAOYSA-N
SMILESC12=CC=CC=C1C=CS2(=O)=O
CAS Datenbank825-44-5(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-EinstufungDangerH301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P270, P272, P280, P301+P316, P302+P352, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 3 (97.6%)
Zollcode29309099
Sicherheitshinweise (S)24/25