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3,5-Dichlorbenzonitril
3,5-Dichlorobenzonit · 3,5-DICHLOROBENZONITRILE · 3,5-dichlorobenzenenitrile · 3,5-Dichlorobenzonitrile>Benzonitrile, 3,5-dichloro- · 3,5-Dichlorobenzonitrile 97% · 3,5-Dichlorobenzonitrile,97% · 13C6]-3,5-Dichlorobenzonitrile · 3,5-Dichlorobenzenecarbonitrile
Identifikatoren & physikalische Daten
| CAS No. | 6575-00-4 |
|---|---|
| Summenformel | C7H3Cl2N |
| Durchschnittliche Molmasse | 172,01 g/mol |
| Monoisotopische Masse | 170,96425446 g/mol |
| SMILES | N#Cc1cc(Cl)cc(Cl)c1 |
| InChIKey | PUJSUOGJGIECFQ-UHFFFAOYSA-N |
| PubChem CID | 81052 |
| ChEMBL | CHEMBL51500 |
| EC No. | 229-495-3 |
| DTXSID | DTXSID00215950 |
| Lokaler Name | 3,5-Dichlorbenzonitril |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 150 |
| Schmelzpunkt | 64-66 °C (lit.) |
| Siedepunkt | 283.76°C (rough estimate) |
| Dichte | 1.4980 (rough estimate) |
| Brechungsindex | 1.6000 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform, Methanol (Slightly) |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to beige-brownish |
| BRN | 2207019 |
| InChI | InChI=1S/C7H3Cl2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H |
| InChIKey | PUJSUOGJGIECFQ-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC(Cl)=CC(Cl)=C1 |
| CAS Datenbank | 6575-00-4(CAS DataBase Reference) |
| NIST chemische Informationen | 3,5-Dichlorobenzonitrile(6575-00-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302+H312+H332 (14.5%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 55 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 17-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30274 |
| Hazard Classes and Categories | Acute Tox. 4 (96.4%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | N |
| UN-Transportnummer | 3276 |
| Zollcode | 29269090 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,T,Xi |
| hazard_note | Irritant/Toxic |
| Sicherheitshinweise (S) | 26-37/39-36/37/39-22-36-36/37-9 |
| Gefahrenklasse | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3,5-Dichlorobenzonitrile was used as internal standard during the programmed temperature vaporization-GC-MS determination of dichlobenil and 2,6-dichlorobenzamide in onions.