HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(S)-(+)-3-Bromo-2-methyl-1-propanol
(S)-3-broMo-2-Methylpropan-1-ol · 3-Bromo-2-Methyl-1-Propanol · (S)-3-BROMO-2-METHYL-PROPANOL · (2S)-3-Bromo-2-methyl-1-propanol · (2S)-3-Bromo-2-methyl-propan-1-ol · 3-Bromo-2-methyl-1-propanolS-form · (S)-(+)-3-Bromo-2-methyl-1-propanol · 1-Propanol, 3-bromo-2-methyl-, (2S)-
Identifikatoren & physikalische Daten
| CAS No. | 98244-48-5 |
|---|---|
| Summenformel | C4H9BrO |
| Durchschnittliche Molmasse | 153,02 g/mol |
| Monoisotopische Masse | 151,98367701 g/mol |
| SMILES | C[C@@H](CO)CBr |
| InChIKey | KIBOHRIGZMLNNS-SCSAIBSYSA-N |
| PubChem CID | 10986449 |
| EC No. | 628-633-3 |
| DTXSID | DTXSID30450756 |
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 | 30,7 |
| Siedepunkt | 177.5±0.0 °C(Predicted) |
| Dichte | 1.461 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.483(lit.) |
| Flammpunkt | 198 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | liquid |
| pKa (Säurekonstante) | 14+-.0.10(Predicted) |
| BRN | 4738280 |
| InChI | InChI=1S/C4H9BrO/c1-4(2-5)3-6/h4,6H,2-3H2,1H3/t4-/m1/s1 |
| InChIKey | KIBOHRIGZMLNNS-SCSAIBSYSA-N |
| SMILES | C(O)[C@H](C)CBr |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 9 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | NA 1993 / PGIII |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
(2S)-3-Bromo-2-methyl-1-propanol is used as a reagent in the preparation of of pyrazolopyrimidinamine derivatives and their tyrosine and phosphinositide kinase inhibitory activity.