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HCID 81066Erstellt: 26. Oktober 2026
2,4-Dichlor-1-isothiocyanatobenzol
2,4-DICHLOROPHENYL ISOTHIOCYANATE · 2,4-DICHLORO-1-ISOTHIOCYANATOBENZENE · 2,4-Dichlorophenyl isothiocyate, 98% · 2,4-Dichlorophenyl isothiocyanate 95% · 2,4-Dichlorophenyl isothiocyanate-97% · 2,4-Dichlorophenyl isothiocyanate,95% · Benzene, 2,4-dichloro-1-isothiocyanato- · Isothiocyanic Acid 2,4-Dichlorophenyl Ester
https://huagongshe.com/de/chemical/81066
Identifikatoren & physikalische Daten
| CAS No. | 6590-96-1 |
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| Summenformel | C7H3Cl2NS |
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| Durchschnittliche Molmasse | 204,08 g/mol |
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| Monoisotopische Masse | 202,93632546 g/mol |
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| SMILES | S=C=Nc1ccc(Cl)cc1Cl |
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| InChIKey | WVBNZZHGECFCSH-UHFFFAOYSA-N |
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| PubChem CID | 81066 |
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| EC No. | 229-527-6 |
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| DTXSID | DTXSID30216117 |
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| Lokaler Name | 2,4-Dichlor-1-isothiocyanatobenzol |
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Chemische & physikalische Eigenschaften
| XLogP | 4,6 |
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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 | 1 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 179 |
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| Schmelzpunkt | 36-40 °C(lit.) |
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| Siedepunkt | 260 °C(lit.) |
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| Dichte | 1.41 g/mL at 25 °C(lit.) |
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| Brechungsindex | 1.6750 (estimate) |
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| Flammpunkt | >230 °F |
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| Lagerbedingungen | 2-8°C |
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| Löslichkeit | soluble in Methanol |
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| Aggregatzustand | Crystalline Solid |
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| Wichte | 1.410 |
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| Farbe | White |
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| BRN | 777072 |
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| InChI | 1S/C7H3Cl2NS/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H |
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| InChIKey | WVBNZZHGECFCSH-UHFFFAOYSA-N |
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| SMILES | Clc1ccc(N=C=S)c(Cl)c1 |
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| CAS Datenbank | 6590-96-1(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (14.9%): Harmful if swallowed [Warning Acute toxicity, oral]P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P342+P316, P362+P364, P363, P403, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 5 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 (14.9%) |
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| F | 10-19-21 |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 3261 8/PG 3 |
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| Zollcode | 29309090 |
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| R-Sätze (R) | 34-42-20/21/22 |
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| Gefahrensymbole | C |
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| Sicherheitshinweise (S) | 22-26-36/37/39-45 |
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| Gefahrenklasse | 8Eye Dam. 1Resp. Sens. 1Skin Corr. 1BSkin Sens. 1 |
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| Verpackungsgruppe | III |
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| Lagerklasse | 8A - Combustible corrosive hazardous materials |
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