HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Hexylisocyanat
1-isocyanatohexane · Hexyl isocyate · Isocyanatohexane · HEXYL ISOCYANATE · N-HEXYL ISOCYANATE · 1-hexyl isocyanate · 1-isocyanato-hexan · isocyanated’hexyle
Identifikatoren & physikalische Daten
| CAS No. | 2525-62-4 |
|---|---|
| Summenformel | C7H13NO |
| Durchschnittliche Molmasse | 127,18 g/mol |
| Monoisotopische Masse | 127,09971404 g/mol |
| SMILES | CCCCCCN=C=O |
| InChIKey | ANJPRQPHZGHVQB-UHFFFAOYSA-N |
| PubChem CID | 75659 |
| ChEBI | CHEBI:59058 |
| EC No. | 219-763-8 |
| DTXSID | DTXSID8062492 |
| Lokaler Name | 1-Hexylisocyanat |
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 95,1 |
| Siedepunkt | 162-164 °C (lit.) |
| Dichte | 0.873 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.421(lit.) |
| Flammpunkt | 140 °F |
| Aggregatzustand | Liquid |
| Farbe | Colorless to slightly yellow |
| Wichte | 0.878 |
| Löslichkeit | DECOMPOSES |
| BRN | 1751836 |
| InChI | InChI=1S/C7H13NO/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3 |
| InChIKey | ANJPRQPHZGHVQB-UHFFFAOYSA-N |
| SMILES | C(N=C=O)CCCCC |
| CAS Datenbank | 2525-62-4(CAS DataBase Reference) |
| EPA chemische Informationen | Hexane, 1-isocyanato- (2525-62-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P272, P280, P284, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P333+P317, P342+P316, P362+P364, P370+P378, P403, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| F | 10-19-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3080 6.1/PG 2 |
| Zollcode | 29291090 |
| R-Sätze (R) | 10-20/21/22-42-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 23-36/37-37/39-26 |
| Gefahrenklasse | 6.1(a)Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 3Resp. Sens. 1Skin Sens. 1 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Hexyl isocyanate may be employed for the synthesis of following:rigid-rod, helical isocyanate-based macromonomersrod-coil-rod triblock copolymers with 2-vinylpyridine, by living anionic polymerizationchiral poly(n-hexyl isocyanate) (PHIC) macromonomers, by living anionic polymerization