HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Methoxyphenylisocyanat
1-Isocyanato-4-methoxybenzene · Benzene, 1-isocyanato-4-methoxy- · p-Anisyl isocyanate · 4-Anisyl isocyanate · 4-Methoxyphenyl isoc · 4-Methoxyphenyl isocyate · P-METHOXYPHENYL ISOCYANATE · p-Methoxyphenyl 1socyanate
Identifikatoren & physikalische Daten
| CAS No. | 5416-93-3 |
|---|---|
| Summenformel | C8H7NO2 |
| Durchschnittliche Molmasse | 149,15 g/mol |
| Monoisotopische Masse | 149,04767846 g/mol |
| SMILES | COc1ccc(N=C=O)cc1 |
| InChIKey | FMDGXCSMDZMDHZ-UHFFFAOYSA-N |
| PubChem CID | 79443 |
| EC No. | 226-513-1 |
| DTXSID | DTXSID6063854 |
| Lokaler Name | 4-Methoxyphenylisocyanat |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 38,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 155 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 101 °C |
| Siedepunkt | 106-110 °C16 mm Hg(lit.) |
| Dichte | 1.151 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.548(lit.) |
| Flammpunkt | 209 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Löslichkeit | soluble in Chloroform, Methanol |
| Aggregatzustand | Liquid |
| Wichte | 1.151 |
| Farbe | Clear colorless |
| BRN | 471920 |
| InChI | 1S/C8H7NO2/c1-11-8-4-2-7(3-5-8)9-6-10/h2-5H,1H3 |
| InChIKey | FMDGXCSMDZMDHZ-UHFFFAOYSA-N |
| SMILES | COc1ccc(cc1)N=C=O |
| CAS Datenbank | 5416-93-3(CAS DataBase Reference) |
| NIST chemische Informationen | P-methoxy phenyl isocyanate(5416-93-3) |
| EPA chemische Informationen | Benzene, 1-isocyanato-4-methoxy- (5416-93-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P363, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.9%) |
| F | 10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2206 6.1/PG 3 |
| Zollcode | 29291090 |
| R-Sätze (R) | 20/21/22-34-36/37/38 |
| Gefahrensymbole | C,Xi |
| Sicherheitshinweise (S) | 26-36/37/39-45-37/39 |
| Gefahrenklasse | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1Resp. Sens. 1Skin Corr. 1BSkin Sens. 1 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
4-Methoxyphenyl isocyanate has been used in the preparation of:6H-indolo[2,3-b]quinolines1-[2-(2-furyl)-8-methyl-9-substituted-8H-pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c] pyrimidin-5-yl]-3-(4-methoxyphenyl)urea