HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Chloro-2-methoxybenzonitrile
4-Chloro-2-cyanoanisole · 5-chloro-o-anisonitrile · 5-Chloro-2-methoxybenzonitril · 2-METHOXY-5-CHLOROBENZONITRILE · 5-CHLORO-2-METHOXYBENZONITRILE · Benzonitrile, 5-chloro-2-methoxy-
Identifikatoren & physikalische Daten
| CAS No. | 55877-79-7 |
|---|---|
| Summenformel | C8H6ClNO |
| Durchschnittliche Molmasse | 167,59 g/mol |
| Monoisotopische Masse | 167,01379149 g/mol |
| SMILES | COc1ccc(Cl)cc1C#N |
| InChIKey | LREABOKKLIVXNA-UHFFFAOYSA-N |
| PubChem CID | 2800979 |
| EC No. | 611-331-0 |
| DTXSID | DTXSID30384204 |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 33 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 174 |
| Schmelzpunkt | 96 °C |
| Siedepunkt | 267℃ |
| Dichte | 1.25 |
| Flammpunkt | 115℃ |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | crystalline powder |
| Farbe | Cream |
| Löslichkeit | Insoluble in water. |
| BRN | 3245801 |
| InChI | InChI=1S/C8H6ClNO/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4H,1H3 |
| InChIKey | LREABOKKLIVXNA-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC(Cl)=CC=C1OC |
| CAS Datenbank | 55877-79-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| UN-Transportnummer | 3276 |
| Zollcode | 2926907090 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
It is employed as an intermediate for pharmaceutical.