HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 126512Erstellt: 27. Oktober 2026
3-Methoxybenzyl isothiocyanate
3-Methoxybenzyl isothiocyanate · 3-Methoxybenzyl isothiocyate, 99% · 1-(isothiocyanatomethyl)-3-methoxybenzene · Benzene, 1-(isothiocyanatomethyl)-3-methoxy-
https://huagongshe.com/de/chemical/126512
Identifikatoren & physikalische Daten
| CAS No. | 75272-77-4 |
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| Summenformel | C9H9NOS |
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| Durchschnittliche Molmasse | 179,24 g/mol |
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| Monoisotopische Masse | 179,04048491 g/mol |
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| SMILES | COc1cccc(CN=C=S)c1 |
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| InChIKey | SSSDJJXWAVRNCM-UHFFFAOYSA-N |
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| PubChem CID | 126512 |
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| ChEMBL | CHEMBL2228957 |
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| EC No. | 671-091-8 |
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| DTXSID | DTXSID70226235 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
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| Polarare Oberfläche (TPSA) | 53,7 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 177 |
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| Siedepunkt | 120°C 1mm |
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| Dichte | 1,15 g/cm3 |
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| Wichte | 1.16 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| UN-Transportnummer | 2810 |
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| R-Sätze (R) | 20/21/22-36/37/38 |
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| Sicherheitshinweise (S) | 26-36/37/39 |
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| Gefahrenklasse | IRRITANT-HARMFUL |
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