HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Non-1-in
non-1-yne · 1-C9H16 · 1-NONYNE · 1-Nonyne>1-Nonyne,96% · 1-NONYNE,98% · Heptylacetylene · 1-Nonyne, 98% 5GR · n-heptylacetylene
Identifikatoren & physikalische Daten
| CAS No. | 3452-09-3 |
|---|---|
| Summenformel | C9H16 |
| Durchschnittliche Molmasse | 124,22 g/mol |
| Monoisotopische Masse | 124,12520051 g/mol |
| SMILES | C#CCCCCCCC |
| InChIKey | OSSQSXOTMIGBCF-UHFFFAOYSA-N |
| PubChem CID | 18937 |
| EC No. | 222-375-1 |
| DTXSID | DTXSID4063036 |
| Lokaler Name | Non-1-in |
Chemische & physikalische Eigenschaften
| XLogP | 4 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 83,5 |
| Stoffklassen | Other Classes -> Aliphatics, Unsaturated |
| SpringerMaterials Properties | Boiling point |
| LogP (Verteilungskoeffizient) | 4.51 |
| Dampfdruck | 6.26 [mmHg]16 mmHg ( 37.7 °C) |
| Physical Description | Colorless liquid with an odor like petrol[Alfa Aesar MSDS] |
| Schmelzpunkt | -50 °C (lit.) |
| Siedepunkt | 150-151 °C (lit.) |
| Dichte | 0.757 g/mL at 25 °C (lit.) |
| Brechungsindex | 1.419-1.422 |
| Flammpunkt | 33°C |
| Lagerbedingungen | Flammables area |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to pale yellow |
| Wichte | 0.757 |
| Löslichkeit | Insoluble in water. |
| BRN | 1736573 |
| Henry-Konstante | 8.5×10-5 mol/(m3Pa) at 25℃, Brockbank (2013) |
| Dielektrizitätskonstante | 2.52 |
| InChI | 1S/C9H16/c1-3-5-7-9-8-6-4-2/h1H,4-9H2,2H3 |
| InChIKey | OSSQSXOTMIGBCF-UHFFFAOYSA-N |
| SMILES | CCCCCCCC#C |
| CAS Datenbank | 3452-09-3(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Nonyne(3452-09-3) |
| EPA chemische Informationen | 1-Nonyne (3452-09-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | May cause irritationMay be fatal by ingestion (may cause lung damage by aspiration)[Alfa Aesar MSDS] See 4-Nonyne and Methylacetylene. |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 1993 |
| Zollcode | 29012900 |
| R-Sätze (R) | 10-36/37/38 |
| Gefahrensymbole | FXn,Xn,F,Xi |
| Sicherheitshinweise (S) | 16-26-36/37/39 |
| Gefahrenklasse | 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
1-Nonyne is a useful building block for preparing pyrrole derivatives as ACC inhibitors.