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HCID 4425751Erstellt: 26. Oktober 2026

Trifluoroethanethioamide

Trifluorothioacetamide · EthanethioaMide, 2,2,2-trifluoro- · 2,2,2-TrifluoroethanethioacetaMide · 2,2,2-Trifluorothioacetamide, tech.

https://huagongshe.com/de/chemical/4425751

Molekülstruktur von Trifluoroethanethioamide

Identifikatoren & physikalische Daten

CAS No.421-52-3
SummenformelC2H2F3NS
Durchschnittliche Molmasse129,11 g/mol
Monoisotopische Masse128,98600473 g/mol
SMILESNC(=S)C(F)(F)F
InChIKeyVZBAIMIVLDKBTE-UHFFFAOYSA-N
PubChem CID4425751
EC No.676-337-8
DTXSIDDTXSID60403159

Chemische & physikalische Eigenschaften

XLogP0,9
Polarare Oberfläche (TPSA)58,1
H-Brücken-Donoren1
H-Brücken-Akzeptoren4
Frei drehbare Bindungen0
Schwere Atome7
Formalladung0
Komplexität85
Schmelzpunkt42-43 °C(Solv: ethyl ether (60-29-7))
Siedepunkt40 °C(Press: 2 Torr)
Dichte1.49
Brechungsindex1.434
LagerbedingungenKeep in dark place,Inert atmosphere,Store in freezer, under -20°C
pKa (Säurekonstante)11.02±0.29(Predicted)
InChIInChI=1S/C2H2F3NS/c3-2(4,5)1(6)7/h(H2,6,7)
InChIKeyVZBAIMIVLDKBTE-UHFFFAOYSA-N
SMILESC(N)(=S)C(F)(F)F

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (13.6%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (13.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (13.6%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (86.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (13.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (13.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 22 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard Classes and CategoriesAcute Tox. 4 (13.6%)Skin Irrit. 2 (13.6%)Skin Sens. 1 (86.4%)Eye Irrit. 2 (100%)STOT SE 3 (13.6%)
Zollcode2930909899
GefahrenklasseIRRITANT