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HCID 9816554Erstellt: 26. Oktober 2026

6-Bromo-4,4-dimethylthiochroman

Tazarotene Impurity 1 · Tazarotene Impurity 6 · 6-Bromo-4,4-dimethylthiochromane · 6-bromo-4,4-dimethyl-2,3-dihydrothiochromene · 6-bromo-4,4-dimethyl-2,3-dihydro-1-benzothiopyran · 6-bromo-4,4-dimethyl-3,4-dihydro-2H-1-benzothiopyran · 6-Bromo-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran · 2H-1-Benzothiopyran, 6-bromo-3,4-dihydro-4,4-dimethyl-

https://huagongshe.com/de/chemical/9816554

Molekülstruktur von 6-Bromo-4,4-dimethylthiochroman

Identifikatoren & physikalische Daten

CAS No.112110-44-8
SummenformelC11H13BrS
Durchschnittliche Molmasse257,19 g/mol
Monoisotopische Masse255,99213352 g/mol
SMILESCC1(C)CCSc2ccc(Br)cc21
InChIKeyFLNJCJQFSGXLIR-UHFFFAOYSA-N
PubChem CID9816554
EC No.601-162-0
DTXSIDDTXSID80431237

Chemische & physikalische Eigenschaften

XLogP4,4
Polarare Oberfläche (TPSA)25,3
H-Brücken-Donoren0
H-Brücken-Akzeptoren1
Frei drehbare Bindungen0
Schwere Atome13
Formalladung0
Komplexität191
Siedepunkt307.5±41.0 °C(Predicted)
Dichte1.351
Lagerbedingungen2-8°C
InChIInChI=1S/C11H13BrS/c1-11(2)5-6-13-10-4-3-8(12)7-9(10)11/h3-4,7H,5-6H2,1-2H3
InChIKeyFLNJCJQFSGXLIR-UHFFFAOYSA-N
SMILESC1SC2=CC=C(Br)C=C2C(C)(C)C1

Sicherheit & Vorschriften

GHS-EinstufungWarningH413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P273, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
AlarmwortWarnung
GefahrenhinweiseCode Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H413