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1-Chlor-2-methylpropan-2-ol
1-chloro-2-methylpropan-2-ol · CHLORO-TERT-BUTYL ALCOHOL · 1-CHLORO-2-METHYLPROPANOL-2-OL · Chloroisobutanol · CHLORO-TERT-BUTANOL · Lercanidipine Impurity 19 · Chloro-2-Methylpropan-2-Ol · 2-(Chloromethyl)isopropanol
Identifikatoren & physikalische Daten
| CAS No. | 558-42-9 |
|---|---|
| Summenformel | C4H9ClO |
| Durchschnittliche Molmasse | 108,57 g/mol |
| Monoisotopische Masse | 108,03419259 g/mol |
| SMILES | CC(C)(O)CCl |
| InChIKey | JNOZGFXJZQXOSU-UHFFFAOYSA-N |
| PubChem CID | 68409 |
| EC No. | 209-196-4 |
| DTXSID | DTXSID20204381 |
| Lokaler Name | 1-Chlor-2-methylpropan-2-ol |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 42,8 |
| Stoffklassen | Other Classes -> Halogenated Alcohols |
| SpringerMaterials Properties | Optical coefficient |
| Physical Description | Clear dark yellow liquid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | -20°C |
| Siedepunkt | 124-128 °C (lit.) |
| Dichte | 1.058 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.439(lit.) |
| Flammpunkt | 100 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 14.16±0.29(Predicted) |
| Farbe | Colorless to Light yellow |
| BRN | 1697054 |
| InChI | InChI=1S/C4H9ClO/c1-4(2,6)3-5/h6H,3H2,1-2H3 |
| InChIKey | JNOZGFXJZQXOSU-UHFFFAOYSA-N |
| SMILES | C(Cl)C(C)(O)C |
| CAS Datenbank | 558-42-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning 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 153 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 30-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22955 |
| Gefahrenübersicht | May cause irritation[Sigma-Aldrich MSDS] See 3-Chloro-1-propanol and 2-Chloro-1-propanol. |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1987 3/PG 3 |
| Zollcode | 29051990 |
| R-Sätze (R) | 10 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 23-24/25 |
| Gefahrenklasse | 3Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
1-Chloro-2-methyl-2-propanol was used in the synthesis and characterization of new polyfunctional thiols.