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HCID 3725513Erstellt: 24. Oktober 2026

4-[(4-Isothiocyanatophenyl)sulfonyl]morpholine

4-[(4-Isothiocyanatophenyl)sulfonyl]morpholine · Morpholine, 4-[(4-isothiocyanatophenyl)sulfonyl]-

https://huagongshe.com/de/chemical/3725513

Molekülstruktur von 4-[(4-Isothiocyanatophenyl)sulfonyl]morpholine

Identifikatoren & physikalische Daten

CAS No.100060-98-8
SummenformelC11H12N2O3S2
Durchschnittliche Molmasse284,4 g/mol
Monoisotopische Masse284,0289346 g/mol
SMILESO=S(=O)(c1ccc(N=C=S)cc1)N1CCOCC1
InChIKeyUXOOJOCKROBTEH-UHFFFAOYSA-N
PubChem CID3725513
EC No.155-831-2

Chemische & physikalische Eigenschaften

XLogP2,1
Polarare Oberfläche (TPSA)99,4
H-Brücken-Donoren0
H-Brücken-Akzeptoren6
Frei drehbare Bindungen3
Schwere Atome18
Formalladung0
Komplexität412
Siedepunkt464.6±55.0 °C(Predicted)
Dichte1.39±0.1 g/cm3(Predicted)
pKa (Säurekonstante)-8.02±0.20(Predicted)

Sicherheit & Vorschriften

GHS-EinstufungDangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, 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 CategoriesAcute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)Resp. Sens. 1 (100%)STOT SE 3 (100%)
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