HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(R)-Butan-2-ol
(R)-butan-2-ol · (R)-2-BUTANOL · l-2-Butanol · (-)-2-Butanol · (2R)-2-Butanol · (2R)-Butan-2-ol · 2-Butanol, (2R)- · (R)-(-)-2-BUTANOL
Identifikatoren & physikalische Daten
| CAS No. | 14898-79-4 |
|---|---|
| Summenformel | C4H10O |
| Durchschnittliche Molmasse | 74,12 g/mol |
| Monoisotopische Masse | 74,07316494 g/mol |
| SMILES | CC[C@@H](C)O |
| InChIKey | BTANRVKWQNVYAZ-SCSAIBSYSA-N |
| PubChem CID | 84682 |
| ChEBI | CHEBI:35686 |
| EC No. | 238-967-8 |
| DTXSID | DTXSID30904709 |
| Lokaler Name | (R)-Butan-2-ol |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 19,6 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| SpringerMaterials Properties | Density |
| Schmelzpunkt | -114 °C |
| Siedepunkt | 97-100 °C (lit.) |
| Dichte | 0.807 g/mL at 20 °C (lit.) |
| Dampfdichte | 2.6 (vs air) |
| Dampfdruck | 12.5 mm Hg ( 20 °C) |
| Brechungsindex | n20/D 1.397(lit.) |
| Flammpunkt | 80 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 15.31±0.20(Predicted) |
| Wichte | 0.81 |
| Farbe | Clear colorless |
| Geruch | at 100.00 %. oily wine |
| Geruchsart | oily |
| Explosionsgrenze | 9.8% |
| Löslichkeit | 125 g/L (20 ºC) |
| Merck | 14,1541 |
| BRN | 1718764 |
| InChI | 1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m1/s1 |
| InChIKey | BTANRVKWQNVYAZ-SCSAIBSYSA-N |
| SMILES | CC[C@@H](C)O |
| LogP (Verteilungskoeffizient) | 0.683 (est) |
| CAS Datenbank | 14898-79-4(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Butanol, (R)-(14898-79-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226: Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)H226 (99.3%): Flammable liquid and vapor [Warning Flammable liquids] |
|---|---|
| Regulatorische Informationen | 2-Butanol, (2R)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (99.3%)Flammable liquid - category 3 |
| Berufliche Expositionsstufe (OEB) | A |
| Arbeitsplatzgrenzwert (OEL) | TWA: 100.0 ppm305.0 mg/m3, STEL: 150.0 ppm455.0 mg/m3 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | Yes |
| UN-Transportnummer | UN 1120 3/PG 3 |
| Zollcode | 29051420 |
| R-Sätze (R) | 10-36/37-67 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 9-13-24/25-26-46-7/9-36 |
| Gefahrenklasse | 3Eye Irrit. 2Flam. Liq. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
| Selbstentzündungstemperatur | 761 °F |
Anwendungen & Verwendung
Verwenden
(R)-()-2-Butanol can be used as a reagent in the synthesis of: 1-[(S)-2-butyl]-3,5 diphenyl-1H-1,2,4 triazole from 3,5 diphenyl-1H-1,2,4 triazole by Mitsunobu reaction. 2-butyl tosylate building block by reacting with toluenesulfonyl chloride.