HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Iodpropen
3-IODOPROPENE · 3-IODO-1-PROPENE · CH2CHCH2I · Allyljodid · Allyliodid · 3-Jodpropen · 3-Iodpropen · ALLYL IODIDE
Identifikatoren & physikalische Daten
| CAS No. | 556-56-9 |
|---|---|
| Summenformel | C3H5I |
| Durchschnittliche Molmasse | 167,98 g/mol |
| Monoisotopische Masse | 167,94359816 g/mol |
| SMILES | C=CCI |
| InChIKey | HFEHLDPGIKPNKL-UHFFFAOYSA-N |
| PubChem CID | 11166 |
| EC No. | 209-130-4 |
| DTXSID | DTXSID5060302 |
| Lokaler Name | 3-Iodpropen |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 4 |
| Formalladung | 0 |
| Komplexität | 17,2 |
| Stoffklassen | Other Classes -> Halogenated Aliphatics, UnsaturatedCorrosives |
| SpringerMaterials Properties | Schoenflies notation |
| Physical Description | Allyl iodide appears as a yellow liquid with a pungent odor. Denser than water and insoluble in water. Hence sinks in water. Vapors are heavier than air. Very irritating to skin, eyes and mucous membranes. Poisonous by ingestion and inhalation. Used to make other chemicals.Yellowish liquid with a pungent unpleasant odorDarkened by light and air evolving iodine[Merck Index] Clear dark red liquid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | -99 °C |
| Siedepunkt | 102103°C |
| Dichte | 1.837 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.554 |
| Flammpunkt | 65 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | alcohol: miscible(lit.)Soluble in alcohol, chloroform, ether, and diethyl ether. Insoluble in water. |
| Aggregatzustand | Liquid |
| Farbe | Clear yellow to orange, red or red-brown |
| Merck | 14,294 |
| BRN | 1697594 |
| Henry-Konstante | 3.8×10-3 mol/(m3Pa) at 25℃, Hilal et al. (2008) |
| Dielektrizitätskonstante | 6.1(19℃) |
| InChI | 1S/C3H5I/c1-2-3-4/h2H,1,3H2 |
| InChIKey | HFEHLDPGIKPNKL-UHFFFAOYSA-N |
| SMILES | ICC=C |
| CAS Datenbank | 556-56-9(CAS DataBase Reference) |
| EPA chemische Informationen | 1-Propene, 3-iodo- (556-56-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225: Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] |
|---|---|
| Regulatorische Informationen | Chemical: 1-Propene, 3-iodo-The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| DOT-Kennzeichnung | Flammable Liquid Corrosive |
| Brandgefahren | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:· Flammable/combustible material. |
| Gesundheitsgefahren | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:· May cause toxic effects if inhaled or ingested. |
| Gefahrenübersicht | Causes general anesthesia, cyanosis, and changes in the structure or function of salivary glands in oral lethal-dose studies of rats[RTECS] Corrosive and flammable[Merck Index] A strong skin, eye, and mucous membrane irritant[CAMEO] Causes burnsInhalation may cause corrosive injuries to upper respiratory tractHighly toxic by ingestionReadily absorbed through skin[Sigma-Aldrich MSDS] See Allyl bromide. See 2,3-Dichloro-1-propene. See Iodine for the TLV of Iodides. |
| DOT-Nummer und Handbuch | 1723 132 |
| Reaktive Gruppe | Halogenated Organic Compounds |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile | ALLYL IODIDE is moderately reactive. Incompatible with strong oxidizing and reducing agents. Also, incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides. |
| DOT Hazard Classification | Allyl iodideUN1723Class 3 Flammable and combustible liquid (49 eCFR § 173.120)PG II: the degree of danger presented by the material is medium |
| Air and Water Reactions | Highly flammable. Darkens on exposure to light and air liberating Iodine [Merck 11th ed. 1989]. Insoluble in water. |
| Hazard Classes and Categories | Flam. Liq. 2 (100%)Flammable liquid - category 2Corrosives, Flammable agents - 3rd degree |
| Brandbekämpfung | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]: |
| Freisetungsmaßnahmen | · CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. |
| Erste Hilfe | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:General First Aid: |
| Expositionsschutz und Persönliche Schutzausrüstung | · Wear positive pressure self-contained breathing apparatus (SCBA). |
| Freisetung ohne Brand | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]: |
| Isolation and Evacuation | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:Immediate precautionary measure |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]: |
| Emergency Response Planning Guidelines | · Some of these materials may react violently with water. |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| F | 8-13 |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1723 |
| Zollcode | 29033990 |
| RTECS-Nr. | UD0450000 |
| R-Sätze (R) | 10-34-11 |
| Gefahrensymbole | C,T,F |
| Sicherheitshinweise (S) | 7-26-45-16 |
| Gefahrenklasse | 3Acute Tox. 2 OralEye Dam. 1Flam. Liq. 2Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Allyl iodide is used as a reagent used with allylindium sesquiiodide in the cis-double allylation of cyclopropenes. It is used in synthesis of other organic compounds such as N-alkyl 2-pyrrolidone, Sorbic acid ester etc,.