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2,6-Diisopropylphenylisocyanat
2,6-Diisopropylphenyl · Benzene, 2-isocyanato-1,3-bis(1-methylethyl)- · 2,6-Diisopropylpheny · Diisopropylfenyliso-cyanat · 2,6-diisopropyl isocyanate · Diisopropylphenyl isocyanat · Diisopropyl phenyl isocyanate · 2,6-Diisopropylphenylisocyanat
Identifikatoren & physikalische Daten
| CAS No. | 28178-42-9 |
|---|---|
| Summenformel | C13H17NO |
| Durchschnittliche Molmasse | 203,28 g/mol |
| Monoisotopische Masse | 203,13101416 g/mol |
| SMILES | CC(C)c1cccc(C(C)C)c1N=C=O |
| InChIKey | FEUFNKALUGDEMQ-UHFFFAOYSA-N |
| PubChem CID | 92259 |
| ChEMBL | CHEMBL109470 |
| EC No. | 248-885-4 |
| DTXSID | DTXSID9051959 |
| Lokaler Name | 2,6-Diisopropylphenylisocyanat |
Chemische & physikalische Eigenschaften
| XLogP | 5 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 225 |
| SpringerMaterials Properties | Chemical shift |
| Siedepunkt | 117 °C10 mm Hg(lit.) |
| Dichte | 0.951 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.519(lit.) |
| Flammpunkt | 225 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform, Methanol (Slightly) |
| Aggregatzustand | Oil |
| Farbe | Colourless |
| Wichte | 0.951 |
| BRN | 2645721 |
| Stabilität | Moisture Sensitive |
| LogP (Verteilungskoeffizient) | 1.57 at 25℃ |
| CAS Datenbank | 28178-42-9(CAS DataBase Reference) |
| EPA chemische Informationen | 2,6-Diisopropylphenyl isocyanate (28178-42-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302+H312 (69.8%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oralacute toxicity, dermal]P233, P260, P261, P264, P264+P265, P270, P271, P272, 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, P333+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 632 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzene, 2-isocyanato-1,3-bis(1-methylethyl)-Status: Active Update: 16-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/56302,6-Diisopropylphenylisocyanate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| F | 19-21 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3382 6.1/PG 1 |
| Zollcode | 29299010 |
| RTECS-Nr. | CY8545000 |
| R-Sätze (R) | 26-36/37/38-42-21/22 |
| Gefahrensymbole | T+ |
| Sicherheitshinweise (S) | 23-26-36/37/39-45-28A |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | II |