HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,3-Dichloro-2-isothiocyanatobenzene
2,6-Dichlorophenyl isothiocyanate · 2,6-dichlorobenzyl isothiocyanate · 1,3-Dichloro-2-isothiocyanatobenzene · 2,6-Dichlorophenyl isothiocyate, 98% · 1, 3-Dichloro-2-isothiocyanto benzene · Benzene, 1,3-dichloro-2-isothiocyanato- · 2,6-Dichlorophenyl isothiocyanate, 98+%
Identifikatoren & physikalische Daten
| CAS No. | 6590-95-0 |
|---|---|
| Summenformel | C7H3Cl2NS |
| Durchschnittliche Molmasse | 204,08 g/mol |
| Monoisotopische Masse | 202,93632546 g/mol |
| SMILES | S=C=Nc1c(Cl)cccc1Cl |
| InChIKey | SUCGVQHNGIQXGD-UHFFFAOYSA-N |
| PubChem CID | 123239 |
| EC No. | 623-472-5 |
| DTXSID | DTXSID70216116 |
Chemische & physikalische Eigenschaften
| XLogP | 4,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 44,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 169 |
| Schmelzpunkt | 38-42 °C(lit.) |
| Siedepunkt | 122-124°C 8mm |
| Dichte | 1.37±0.1 g/cm3(Predicted) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | solid |
| BRN | 639061 |
| InChI | 1S/C7H3Cl2NS/c8-5-2-1-3-6(9)7(5)10-4-11/h1-3H |
| InChIKey | SUCGVQHNGIQXGD-UHFFFAOYSA-N |
| SMILES | Clc1cccc(Cl)c1N=C=S |
| CAS Datenbank | 6590-95-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P270, 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 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (11.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3261 8/PG 3 |
| Zollcode | 2930909899 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 6.1Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
2,6-Dichlorophenyl isothiocyanate may be used as a precursor to synthesize 1-(2-aminoethyl)-2-cyano-3-(2,6-dichlorophenyl)guanidine.