HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Isocyanato-4-(1-methylethyl)-benzol
1-isocyanato-4-(propan-2-yl)benzene · IPPI · AKOS B028613 · ART-CHEM-BB B028613 · p-cumenylisocyanate · 4-Isopropylphenyl is · p-Isopropylphenylisocyanat · 4-Isopropylphenylisocyanat
Identifikatoren & physikalische Daten
| CAS No. | 31027-31-3 |
|---|---|
| Summenformel | C10H11NO |
| Durchschnittliche Molmasse | 161,2 g/mol |
| Monoisotopische Masse | 161,08406397 g/mol |
| SMILES | CC(C)c1ccc(N=C=O)cc1 |
| InChIKey | PJVRNNRZWASOIT-UHFFFAOYSA-N |
| PubChem CID | 94416 |
| EC No. | 250-439-9 |
| DTXSID | DTXSID40184999 |
| Lokaler Name | 1-Isocyanato-4-(1-methylethyl)-benzol |
Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 174 |
| SpringerMaterials Properties | Chemical shift |
| Siedepunkt | 85 °C4 mm Hg(lit.) |
| Dichte | 1.01 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.52(lit.) |
| Flammpunkt | 195 °F |
| Löslichkeit | decomposes |
| BRN | 2936403 |
| LogP (Verteilungskoeffizient) | 4.05 at 20℃ |
| CAS Datenbank | 31027-31-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (55.6%): 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, P320, 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 72 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 19-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11378 |
| Hazard Classes and Categories | Acute Tox. 4 (55.6%) |
| Wassergefährdungsklasse (WGK) | 1 |
| UN-Transportnummer | UN 2206 6.1/PG 3 |
| Zollcode | 29291000 |
| R-Sätze (R) | 20/21/22-36/37/38-42-34-26 |
| Gefahrensymbole | Xn,Xi,T+ |
| Sicherheitshinweise (S) | 26-36-45-36/37/39-23 |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | III |