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3,4,5,6-Tetrachlorbenzol-1,2-dicarbonitril
TETRACHLOROPHTHALONITRILE · 3,4,5,6-tetrachlorobenzene-1,2-dicarbonitrile · 3,4,5,6-tetrachloro-1,2-benzenedicarbonitrile · o-Tcpn · Z-CHLOROTHALONIL · Perchlorophthalonitrile · Tetrachlorophthalodinitrile · 6-Tetrachlorophthalonitrile
Identifikatoren & physikalische Daten
| CAS No. | 1953-99-7 |
|---|---|
| Summenformel | C8Cl4N2 |
| Durchschnittliche Molmasse | 265,9 g/mol |
| Monoisotopische Masse | 263,88155872 g/mol |
| SMILES | N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)c1C#N |
| InChIKey | OQHXZZGZASQSOB-UHFFFAOYSA-N |
| PubChem CID | 16057 |
| EC No. | 217-783-1 |
| DTXSID | DTXSID20173189 |
| Lokaler Name | 3,4,5,6-Tetrachlorbenzol-1,2-dicarbonitril |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 47,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 282 |
| Schmelzpunkt | 249-252 °C (dec.)(lit.) |
| Siedepunkt | 350°C (rough estimate) |
| Dichte | 1.7395 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| Farbe | White to Almost white |
| CAS Datenbank | 1953-99-7(CAS DataBase Reference) |
| NIST chemische Informationen | 1,2-Benzenedicarbonitrile, 3,4,5,6-tetrachloro-(1953-99-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH312 (97.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]P261, P271, P280, P302+P352, P304+P340, P317, P321, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 1,2-Benzenedicarbonitrile, 3,4,5,6-tetrachloro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Acute Tox. 4 (97.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3077 9/PG III |
| Zollcode | 2926.90.4801 |
| RTECS-Nr. | TI8225000 |
| R-Sätze (R) | 20/21/22 |
| Toxizität | mouse,LD50,intraperitoneal,66mg/kg (66mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY),Industrial Health. Vol. 4, Pg. 11, 1966. |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 36 |
| Gefahrenklasse | 9 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
3,4,5,6-Tetrachlorophthalonitrile can be used as a reagent in chemical reactions or as an intermediate in organic synthesis. 3,4,5,6-Tetrachlorophthalonitrile and 3,4,5,6-Tetrachlorophthalonitrile can be used as substrates with various phenoxy compounds in nucleophilic aromatic substitution reactions to prepare 3,4,6-trihalo-5-p-substituted phenoxyphthalonitrile containing four substituents other than hydrogen[1].