HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 19408Erstellt: 27. Oktober 2026
4-chlorobenzyl Isothiocyanate
Benzene, 1-chloro-4-(isothiocyanatomethyl)- · p-chlorobenzylisothiocyanate · 4-Chlorobenzyl isothiocyanate · 4-Chlorobenzylisothiocyanate,95% · 4-Chlorobenzyl isothiocyate, 98% · 4-Chlorobenzyl isothiocyanate-97% · isothiocyanicacid,p-chlorobenzylester · Isothiocyanic acid, p-chlorobenzyl ester
https://huagongshe.com/de/chemical/19408
Identifikatoren & physikalische Daten
| CAS No. | 3694-45-9 |
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| Summenformel | C8H6ClNS |
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| Durchschnittliche Molmasse | 183,66 g/mol |
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| Monoisotopische Masse | 182,99094787 g/mol |
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| SMILES | S=C=NCc1ccc(Cl)cc1 |
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| InChIKey | DEHXIHUIYSXZNH-UHFFFAOYSA-N |
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| PubChem CID | 19408 |
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| ChEMBL | CHEMBL2151313 |
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| EC No. | 670-479-4 |
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| DTXSID | DTXSID80190433 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
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| Polarare Oberfläche (TPSA) | 44,5 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 157 |
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| Siedepunkt | 170 °C |
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| Dichte | 1,27 g/cm3 |
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| Brechungsindex | 1.6155 |
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| Flammpunkt | 169-170°C/25mm |
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| Löslichkeit | 27.18mg/L(25 ºC) |
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| BRN | 2085917 |
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| CAS Datenbank | 3694-45-9(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| UN-Transportnummer | 2810 |
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| RTECS-Nr. | NX8470000 |
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| R-Sätze (R) | 20/21/22-36/37/38 |
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| Gefahrensymbole | T |
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| Sicherheitshinweise (S) | 26-36/37/39 |
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| Gefahrenklasse | 6.1 |
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| Verpackungsgruppe | II |
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