HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Methoxybenzonitril
AKOS 91422 · AKOS B005792 · O-CYANOANISOLE · 2-CYANOANISOLE · o-Anisonitrile · 2-Methxybenzonitrile · 2-Methoxybenzonitril · 2-METHOXYBENZONITRILE
Identifikatoren & physikalische Daten
| CAS No. | 6609-56-9 |
|---|---|
| Summenformel | C8H7NO |
| Durchschnittliche Molmasse | 133,15 g/mol |
| Monoisotopische Masse | 133,05276384 g/mol |
| SMILES | COc1ccccc1C#N |
| InChIKey | FSTPMFASNVISBU-UHFFFAOYSA-N |
| PubChem CID | 81086 |
| EC No. | 229-559-0 |
| DTXSID | DTXSID10216291 |
| Lokaler Name | 2-Methoxybenzonitril |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 33 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 147 |
| SpringerMaterials Properties | Density |
| Schmelzpunkt | 24.5°C |
| Siedepunkt | 135 °C12 mm Hg(lit.) |
| Dichte | 1.093 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.5465(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Slightly soluble in water |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to pale yellow |
| BRN | 2207134 |
| InChI | InChI=1S/C8H7NO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,1H3 |
| InChIKey | FSTPMFASNVISBU-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC=CC=C1OC |
| CAS Datenbank | 6609-56-9(CAS DataBase Reference) |
| NIST chemische Informationen | o-Methoxybenzonitrile(6609-56-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (14.6%): 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 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (14.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 3276 |
| Zollcode | 29269090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Gefahrenklasse | 6.1Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2-Methoxybenzonitrile was used in the synthesis of 5-(4′-methyl [1,1′-biphenyl]-2-yl)-1H-tetrazole.
Herstellung & Synthese
synthetische
o-Anisidine with sodium nitrite to make a diazonium salt solution, add it to the lead cyanide solution, and then add benzene. Put the mixture for 10-15h and carry out steam distillation, separate the benzene layer from the distillate, dry it with calcium chloride, evaporate the benzene, and distill the residue under reduced pressure, collect 120-122.5°C (1.2kPa fraction) to get 2-Methoxybenzonitrile, yield 64.5-67.3%.