HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Butene, 1-bromo-, (2E)-
(E)-1-bromobut-2-ene · (E)-Crotyl bromide · (2E)-1-Bromobut-2-ene · (E)-1-bromo-2-butene · trans-1-bromo-2-butene · 1-Bromo-trans-2-butene · (e)-2-buten · trans-Crotyl bromide
Identifikatoren & physikalische Daten
| CAS No. | 29576-14-5 |
|---|---|
| Summenformel | C4H7Br |
| Durchschnittliche Molmasse | 135 g/mol |
| Monoisotopische Masse | 133,97311232 g/mol |
| SMILES | C/C=C/CBr |
| InChIKey | AVMHMVJVHYGDOO-NSCUHMNNSA-N |
| PubChem CID | 637532 |
| EC No. | 225-332-5 |
| DTXSID | DTXSID20885457 |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 30,6 |
| SpringerMaterials Properties | Boiling point |
| Schmelzpunkt | -115.07°C (estimate) |
| Siedepunkt | 97-99 °C(lit.) |
| Dichte | 1.312 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.480(lit.) |
| Flammpunkt | 11 °C |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | soluble in Deuterated Chloroform ,Dichloroemthane, Hexanes |
| Aggregatzustand | Liquid |
| Farbe | Clear light yellow to yellow-brown |
| BRN | 1361394 |
| InChI | 1S/C4H7Br/c1-2-3-4-5/h2-3H,4H2,1H3/b3-2+ |
| InChIKey | AVMHMVJVHYGDOO-NSCUHMNNSA-N |
| SMILES | [H]\C(C)=C(\[H])CBr |
| EPA chemische Informationen | 2-Butene, 1-bromo-, (2E)- (29576-14-5) |
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, 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 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 1993 |
| Zollcode | 29033990 |
| R-Sätze (R) | 11-36/37-36/37/38 |
| Gefahrensymbole | F,Xi |
| Sicherheitshinweise (S) | 16-26-27-36/37/39-37/39 |
| Gefahrenklasse | 3.1Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Crotyl bromide is a general organic reagent that can be used in the total synthesis of biologically important natural products and their derivatives such as (+)-artemisinin, plakortone E and ()-horsfiline.It can also be used to prepare analogs of deoxycyclitols, pentopyranoses, 6-deoxyhexoses, hexoses and pseudo-indoxyl derivatives.