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HCID 377608Erstellt: 3. November 2026

1,1-Diethoxy-2-isothiocyanatoethane

https://huagongshe.com/de/chemical/377608

Molekülstruktur von 1,1-Diethoxy-2-isothiocyanatoethane

Identifikatoren & physikalische Daten

CAS No.13733-17-0
SummenformelC7H13NO2S
Durchschnittliche Molmasse175,25 g/mol
Monoisotopische Masse175,06669983 g/mol
SMILESCCOC(CN=C=S)OCC
InChIKeyHPRRRCJCXROIAC-UHFFFAOYSA-N
PubChem CID377608
ChEMBLCHEMBL1993545
EC No.996-999-4

Chemische & physikalische Eigenschaften

XLogP2,2
Polarare Oberfläche (TPSA)62,9
H-Brücken-Donoren0
H-Brücken-Akzeptoren4
Frei drehbare Bindungen6
Schwere Atome11
Formalladung0
Komplexität128

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]H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]H318 (100%): Causes serious eye damage [Danger 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, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+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%)Skin Sens. 1 (100%)Eye Dam. 1 (100%)Resp. Sens. 1 (100%)STOT SE 3 (100%)