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2,4-Dichlorbenzonitril
AKOS B004070 · 2,4-Dichlorobenzonit · 4-Dichlorobenzonitrile · Furosemide Impurity 58 · 2,4-Dichlor-Benzonitril · 2,4-DICHLOROBENZONITRILE · 2,4-Dichlorobenzonitrile>Benzonitrile, 2,4-dichloro- · 2,4-Dichlorobenzonitrile,98%
Identifikatoren & physikalische Daten
| CAS No. | 6574-98-7 |
|---|---|
| Summenformel | C7H3Cl2N |
| Durchschnittliche Molmasse | 172,01 g/mol |
| Monoisotopische Masse | 170,96425446 g/mol |
| SMILES | N#Cc1ccc(Cl)cc1Cl |
| InChIKey | GRUHREVRSOOQJG-UHFFFAOYSA-N |
| PubChem CID | 81050 |
| EC No. | 229-493-2 |
| DTXSID | DTXSID30215943 |
| Lokaler Name | 2,4-Dichlorbenzonitril |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 160 |
| SpringerMaterials Properties | Diamagnetic susceptibility |
| Schmelzpunkt | 57-61 °C |
| Siedepunkt | 125 °C / 15mmHg |
| Dichte | 1.4980 (rough estimate) |
| Brechungsindex | 1.6000 (estimate) |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | soluble in Methanolinsoluble |
| Aggregatzustand | Solid:bulk |
| Farbe | White to Almost white |
| BRN | 637738 |
| InChI | InChI=1S/C7H3Cl2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H |
| InChIKey | GRUHREVRSOOQJG-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC=C(Cl)C=C1Cl |
| CAS Datenbank | 6574-98-7(CAS DataBase Reference) |
| NIST chemische Informationen | 2,4-Dichlorobenzonitrile(6574-98-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (93.8%): Harmful if swallowed [Warning Acute toxicity, oral]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 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzonitrile, 2,4-dichloro-Status: Active Update: 17-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/20401 |
| Hazard Classes and Categories | Acute Tox. 4 (93.8%) |
| Wassergefährdungsklasse (WGK) | WGK 2 water endangering |
| UN-Transportnummer | 3276 |
| Zollcode | 29269095 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xn,T,Xi |
| hazard_note | Irritant/Toxic |
| Sicherheitshinweise (S) | 36/37/39-26-36-36/37-9 |
| Gefahrenklasse | 6.1Acute Tox. 4 OralEye Irrit. 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Used as intermediate for the synthesis of agrochemicals, pharmaceuticals and chemical intermediates.