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1,3-Dibrompropan-2-ol
1,3-DIBROMOPROPAN-2-OL · 1,3-DibroMo-2-propanol (stabilized with Copper chip) · -Dibromohydrin · 1,3-DIBROMOHYDRIN · 1,3-Dibromopropanol · alpha-Dibromohydrin · 1,3-dibromo-2-propano · 1,3-DIBROMO-2-PROPANOL
Identifikatoren & physikalische Daten
| CAS No. | 96-21-9 |
|---|---|
| Summenformel | C3H6Br2O |
| Durchschnittliche Molmasse | 217,89 g/mol |
| Monoisotopische Masse | 215,87853901 g/mol |
| SMILES | OC(CBr)CBr |
| InChIKey | KIHQZLPHVZKELA-UHFFFAOYSA-N |
| PubChem CID | 7287 |
| EC No. | 202-489-8 |
| DTXSID | DTXSID8059130 |
| Lokaler Name | 1,3-Dibrompropan-2-ol |
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 | 28 |
| SpringerMaterials Properties | Optical coefficient |
| Schmelzpunkt | 103-106 °C |
| Siedepunkt | 82-83 °C/7 mmHg (lit.) |
| Dichte | 2.136 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.552(lit.) |
| Flammpunkt | 116 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| pKa (Säurekonstante) | 12.46±0.20(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to light yellow or light brown |
| Löslichkeit | soluble |
| InChIKey | KIHQZLPHVZKELA-UHFFFAOYSA-N |
| CAS Datenbank | 96-21-9(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Propanol, 1,3-dibromo-(96-21-9) |
| EPA chemische Informationen | 2-Propanol, 1,3-dibromo- (96-21-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P318, P319, P321, P330, 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 44 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. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1987 3/PG 3 |
| Zollcode | 29055900 |
| RTECS-Nr. | UB0200000 |
| R-Sätze (R) | 10-36/37/38-40-68-24/25-25 |
| Gefahrensymbole | Xn,T |
| hazard_note | Harmful |
| Sicherheitshinweise (S) | 16-26-36/37/39-45 |
| Gefahrenklasse | 3.2 |
| Verpackungsgruppe | II |
Anwendungen & Verwendung
Verwenden
1,3-Dibromo-2-propanol may be used in the following studies:To prepare the thioether ligand, used in the synthesis of palladium-phosphorus/sulfur nanoparticles.Preparation of 2-(alkoxy)propenyl bromide.Synthesis of 1,3-propanediamine derivatives connected to carbohydrates (sugar-pendant diamines).Chemical crosslinking of nine single substitution cysteine mutants of staphylococcal nuclease.Preparation of 1,3-dinitrooxy-2-propanol, via reaction with AgNO3 in MeCN at 80°C.