HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Bromo-3-buten-1-ol
3-broMobut-3-en-1-ol · 3-Bromo-3-butenol · 3-BROMO-3-BUTEN-1-OL · 3-BROMO-2-BUTEN-1-OL · 3-Buten-1-ol, 3-bromo- · 3-bromo-3-butenealcohol · 3-Bromo-3-buten-1-ol, 97+% · 3-BroMo-3-buten-1-ol, 97+% 10GR
Identifikatoren & physikalische Daten
| CAS No. | 76334-36-6 |
|---|---|
| Summenformel | C4H7BrO |
| Durchschnittliche Molmasse | 151 g/mol |
| Monoisotopische Masse | 149,96803 g/mol |
| SMILES | C=C(Br)CCO |
| InChIKey | RTKMFQOHBDVEBC-UHFFFAOYSA-N |
| PubChem CID | 533975 |
| EC No. | 627-762-2 |
| DTXSID | DTXSID00336472 |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 51,5 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Siedepunkt | 64-65 °C9 mm Hg(lit.) |
| Dichte | 1.522 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.499(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | -20°C, stored under nitrogen |
| Aggregatzustand | liquid (clear) |
| pKa (Säurekonstante) | 14.86±0.10(Predicted) |
| Farbe | clear brown |
| BRN | 1737671 |
| InChI | InChI=1S/C4H7BrO/c1-4(5)2-3-6/h6H,1-3H2 |
| InChIKey | RTKMFQOHBDVEBC-UHFFFAOYSA-N |
| SMILES | C(O)CC(Br)=C |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29055900 |
| R-Sätze (R) | 22-41-43 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Acute Tox. 4 OralEye Dam. 1Skin Sens. 1 |
Anwendungen & Verwendung
Verwenden
3-Bromo-3-buten-1-ol is useful building block in the synthesis of α-methylene lactones,1 tricyclic sesquiterpenes,2,3 and a number of other cyclization4 and alkylation reactions.