HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Iod-2-methylpropan
1-IODO-2-METHYLPROPANE · iso-C4H9I · Isobutyljodid · ISOBUTYL IODIDE · Isobutyl iodine · ISO-BUTANEIODIDE · Iodide isobutane · 1-Iodo-iso-butane
Identifikatoren & physikalische Daten
| CAS No. | 513-38-2 |
|---|---|
| Summenformel | C4H9I |
| Durchschnittliche Molmasse | 184,02 g/mol |
| Monoisotopische Masse | 183,97489829 g/mol |
| SMILES | CC(C)CI |
| InChIKey | BTUGGGLMQBJCBN-UHFFFAOYSA-N |
| PubChem CID | 10556 |
| EC No. | 208-160-5 |
| DTXSID | DTXSID9060154 |
| Lokaler Name | 1-Iod-2-methylpropan |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 17,6 |
| SpringerMaterials Properties | Boiling point |
| Physical Description | Iodomethylpropane appears as a colorless liquid mixture of isomers that discolors in air. Denser than water. Vapors are heavier than air. May be mildly toxic by inhalation. Used as a solvent and to make pharmaceuticals. |
| Schmelzpunkt | -93 °C |
| Siedepunkt | 120-121 °C(lit.) |
| Dichte | 1.599 g/mL at 25 °C(lit.) |
| Dampfdichte | 6 (vs air) |
| Dampfdruck | 20 mm Hg ( 20 °C) |
| Brechungsindex | n20/D 1.496(lit.) |
| Flammpunkt | 55 °F |
| Lagerbedingungen | Flammables area |
| Löslichkeit | alcohol: miscible(lit.)insoluble |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to light orange |
| Spezifische Wärmekapazität | Cp(liquid): 0.88 J/(g·K), at 25℃ |
| Merck | 14,5144 |
| BRN | 1730927 |
| Dielektrizitätskonstante | 5.8(20℃) |
| InChI | 1S/C4H9I/c1-4(2)3-5/h4H,3H2,1-2H3 |
| InChIKey | BTUGGGLMQBJCBN-UHFFFAOYSA-N |
| SMILES | CC(C)CI |
| CAS Datenbank | 513-38-2(CAS DataBase Reference) |
| NIST chemische Informationen | Propane, 1-iodo-2-methyl-(513-38-2) |
| EPA chemische Informationen | Propane, 1-iodo-2-methyl- (513-38-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger 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, 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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| DOT-Kennzeichnung | Flammable Liquid |
| Brandgefahren | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: |
| Gesundheitsgefahren | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: |
| Reaktive Gruppe | Halogenated Organic Compounds |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile | IODOMETHYLPROPANE is incompatible with strong oxidizing and reducing agents. Also incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides. |
| Air and Water Reactions | Highly flammable. Slightly soluble in water. |
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| Brandbekämpfung | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: |
| Erste Hilfe | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: |
| Freisetung ohne Brand | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: |
| F | 8-10-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2391 3/PG 2 |
| Zollcode | 29033080 |
| RTECS-Nr. | TZ4250000 |
| R-Sätze (R) | 11-36/37/38-20-53 |
| Gefahrensymbole | F,Xi,Xn |
| Sicherheitshinweise (S) | 16-26-36-9-33 |
| Gefahrenklasse | 3Acute Tox. 3 InhalationFlam. Liq. 2 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Isobutyl iodide is a useful synthetic building block, such as its use in the palladium-catalyzed alkylation of arylpyridines with alkyl iodides.