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4-tert-Butyl-2-chlorphenol
NSC 8464 · 4-TERT-BUTYL-2-CHLOROPHENOL · phenol, 2-chloro, 4-t-butyl · 2-CHLORO-4-TERT-BUTYLPHENOL · Phenol, 4-tert-butyl-2-chloro- · C10931125 4-tert-Butyl-2-chlorophenol · 2,4-Dichlorobenzyl Alcohol Impurity 64 · 4-TERT-BUTYL-2-CHLOROPHENOL: TECH., 90%
Identifikatoren & physikalische Daten
| CAS No. | 98-28-2 |
|---|---|
| Summenformel | C10H13ClO |
| Durchschnittliche Molmasse | 184,66 g/mol |
| Monoisotopische Masse | 184,06549272 g/mol |
| SMILES | CC(C)(C)c1ccc(O)c(Cl)c1 |
| InChIKey | PRLINSMUYJWPBL-UHFFFAOYSA-N |
| PubChem CID | 7380 |
| EC No. | 202-652-3 |
| DTXSID | DTXSID0059164 |
| Lokaler Name | 4-tert-Butyl-2-chlorphenol |
Chemische & physikalische Eigenschaften
| XLogP | 3,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 150 |
| Siedepunkt | 85-86 °C |
| Dichte | 1.099 g/cm3 |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly) |
| pKa (Säurekonstante) | 8.71±0.18(Predicted) |
| Farbe | Clear Colourless to Pale Yellow |
| EPA chemische Informationen | Phenol, 2-chloro-4-(1,1-dimethylethyl)- (98-28-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| R-Sätze (R) | 20/21/22-41-37/38-22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 36/37-45-39-26 |
Anwendungen & Verwendung
Verwenden
4-tert-Butyl-2-chlorophenol is a colorless liquid that used in organic synthesis.