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1-Iodbutan
BUTYL IODIDE · N-BUTYL IODIDE · Iodobutane · 1-LODOBUTANE · n-C4H9I · 1-Jodbutan · 1-iodo-butan · 1-Butyljodid
Identifikatoren & physikalische Daten
| CAS No. | 25267-27-0 |
|---|---|
| Summenformel | C4H9I |
| Durchschnittliche Molmasse | 184,02 g/mol |
| Monoisotopische Masse | 183,97489829 g/mol |
| SMILES | CCCCI |
| InChIKey | KMGBZBJJOKUPIA-UHFFFAOYSA-N |
| PubChem CID | 10962 |
| EC No. | 208-824-4 |
| DTXSID | DTXSID70862157 |
| Lokaler Name | 1-Iodbutan |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 13,1 |
| Stoffklassen | Other Classes -> Halogenated Aliphatics, Saturated |
| SpringerMaterials Properties | Schoenflies notation |
| LogP (Verteilungskoeffizient) | 3.08 |
| Dampfdruck | 13.9 [mmHg]18.5 hPa (25 °C) |
| Physical Description | Liquid[Merck Index] Colorless liquid[Alfa Aesar MSDS] |
| Schmelzpunkt | −103 °C(lit.) |
| Siedepunkt | 130-131 °C(lit.) |
| Dichte | 1.617 g/mL at 25 °C(lit.) |
| Dampfdichte | ~5 (vs air) |
| Brechungsindex | n20/D 1.498(lit.) |
| Flammpunkt | 92 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | alcohol: solubleInsoluble in water. |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to pale yellow or light pink |
| Merck | 14,1573 |
| BRN | 1420755 |
| Henry-Konstante | 6.9×10-4 mol/(m3Pa) at 25℃, Brockbank (2013) |
| Dielektrizitätskonstante | 4.5(130℃) |
| Stabilität | Stable. Highly flammable. Incompatible with strong oxidizing agents. Light sensitive. |
| InChI | 1S/C4H9I/c1-2-3-4-5/h2-4H2,1H3 |
| InChIKey | KMGBZBJJOKUPIA-UHFFFAOYSA-N |
| SMILES | CCCCI |
| CAS Datenbank | 542-69-8(CAS DataBase Reference) |
| NIST chemische Informationen | Butane, 1-iodo-(542-69-8) |
| EPA chemische Informationen | Butane, 1-iodo- (542-69-8) |
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, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, 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 54 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Butane, 1-iodo-1-Iodobutane: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | An irritantHarmful by inhalation[Alfa Aesar MSDS] See 1-Bromobutane and n-Butyl chloride. |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| Toxicity Data | LC50 (rat) = 6,100 mg/m3/4hr |
| F | 8 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 29033080 |
| RTECS-Nr. | EK4400000 |
| R-Sätze (R) | 10-20-36/37/38-20/22 |
| Gefahrensymbole | Xn |
| hazard_note | Harmful |
| Sicherheitshinweise (S) | 16-36-36/37/39-26 |
| Gefahrenklasse | 3Acute Tox. 3 InhalationFlam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
1-Iodobutane was used in the synthesis of S-alkylated 5-(2-,3- and 4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol and 5-(2-,3- and 4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol. It is also used in wide range of medicals industrial applications as well as in human and animal nutrition products, pharmaceutical intermediates, polarizing films for Liquid Crystal Display (LCD) chemicals.
Herstellung & Synthese
synthetische
1-Iodobutane is obtained by reacting n-butanol with iodine in the presence of phosphorus.