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1,2-Dichlor-4-isothiocyanatobenzol
AKOS 90254 · 3,4-DICHLOROPHENYL ISOTHIOCYANATE · 3,4-Dichlorophenyl isothiocyate, 99% · 1,2-Dichloro-4-isothiocyanatobenzene · Benzene, 1,2-dichloro-4-isothiocyanato- · isothiocyanicacid,3,4-dichlorophenylester · Isothiocyanic acid, 3,4-dichlorophenyl ester
Identifikatoren & physikalische Daten
| CAS No. | 6590-94-9 |
|---|---|
| Summenformel | C7H3Cl2NS |
| Durchschnittliche Molmasse | 204,08 g/mol |
| Monoisotopische Masse | 202,93632546 g/mol |
| SMILES | S=C=Nc1ccc(Cl)c(Cl)c1 |
| InChIKey | OSBIEFWIIINTNJ-UHFFFAOYSA-N |
| PubChem CID | 23065 |
| EC No. | 229-526-0 |
| DTXSID | DTXSID10216115 |
| Lokaler Name | 1,2-Dichlor-4-isothiocyanatobenzol |
Chemische & physikalische Eigenschaften
| XLogP | 4,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 44,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 179 |
| Schmelzpunkt | 178 °C |
| Siedepunkt | 134-136 °C7 mm Hg(lit.) |
| Dichte | 1.422 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.68(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light orange to Yellow |
| Wichte | 1.422 |
| BRN | 511101 |
| CAS Datenbank | 6590-94-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (12.8%): 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+P354+P338, P316, P317, P321, P330, P362+P364, P363, 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. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (12.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3265 8/PG 3 |
| Zollcode | 29309090 |
| RTECS-Nr. | NX8490000 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 23-26-27-36/37/39-45 |
| Gefahrenklasse | 8 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
3,4-Dichlorophenyl isothiocyanate is used as a pharmaceutical intermediate in pharmaceutical synthesis and scientific research.