HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Iodpentan
Iodopentane · n-C5H11I · AMYL IODIDE · 1-Jodpentan · 1-jodpentane · PENTYL IODIDE · 1-IODOPENTANE · N-AMYL IODIDE
Identifikatoren & physikalische Daten
| CAS No. | 628-17-1 |
|---|---|
| Summenformel | C5.H11.I |
| Durchschnittliche Molmasse | 198,05 g/mol |
| Monoisotopische Masse | 197,99054835 g/mol |
| SMILES | CCCCCI |
| InChIKey | BLXSFCHWMBESKV-UHFFFAOYSA-N |
| PubChem CID | 12335 |
| EC No. | 211-030-0 |
| DTXSID | DTXSID1060849 |
| Lokaler Name | 1-Iodpentan |
Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 19,9 |
| Stoffklassen | Other Classes -> Halogenated Aliphatics, Saturated |
| SpringerMaterials Properties | Boiling point |
| LogP (Verteilungskoeffizient) | 3.62 |
| Dichte | 1.5161 @ 20°C1.517 g/mL at 25 °C(lit.) |
| Siedepunkt | 157 °C @760 [mm Hg]154-155 °C(lit.) |
| Dampfdruck | 4.39 [mmHg] |
| Physical Description | Clear light red liquid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | -86°C |
| Brechungsindex | n20/D 1.495(lit.) |
| Flammpunkt | 124 °F |
| Lagerbedingungen | Flammables area |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to yellow |
| Löslichkeit | Insoluble in water. |
| BRN | 1730982 |
| Henry-Konstante | 5.9×10-4 mol/(m3Pa) at 25℃, Keshavarz et al. (2022) |
| Dielektrizitätskonstante | 5.8099999999999996 |
| InChI | 1S/C5H11I/c1-2-3-4-5-6/h2-5H2,1H3 |
| InChIKey | BLXSFCHWMBESKV-UHFFFAOYSA-N |
| SMILES | CCCCCI |
| CAS Datenbank | 628-17-1(CAS DataBase Reference) |
| NIST chemische Informationen | Pentane, 1-iodo-(628-17-1) |
| EPA chemische Informationen | Pentane, 1-iodo- (628-17-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 1-Iodopentane: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Intraperitoneal LD50 (mouse) = 489 mg/kg[RTECS] A skin and strong eye irritant[Sigma-Aldrich MSDS] See n-Butyl chloride. |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Protective Action Criteria (PAC) | 5.7 [mg/m3]63 [mg/m3]380 [mg/m3] |
| F | 8 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 29033080 |
| RTECS-Nr. | SA2975600 |
| R-Sätze (R) | 10-36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
1-Iodopentane (pentyl iodide) was used in the preparation of 1-pentyl radical by shock heating process.