HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 75147Erstellt: 26. Oktober 2026
2-Brom-4-tert-butylphenol
AKOS BBB/374 · 2-Bromo-4-t-butylphenol · 2-Bromo-4-tert-butylphenol · 4-TERT-BUTYL-2-BROMOPHENOL · 2-Bromo-4-tert-butylphenol >2-broMo-4-(1,1-diMethylethyl)- · Phenol, 2-bromo-4-(1,1-dimethylethyl)-
https://huagongshe.com/de/chemical/75147
Identifikatoren & physikalische Daten
| CAS No. | 2198-66-5 |
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| Summenformel | C10H13BrO |
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| Durchschnittliche Molmasse | 229,11 g/mol |
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| Monoisotopische Masse | 228,01497714 g/mol |
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| SMILES | CC(C)(C)c1ccc(O)c(Br)c1 |
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| InChIKey | FFRLMQPMGIMHHQ-UHFFFAOYSA-N |
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| PubChem CID | 75147 |
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| ChEMBL | CHEMBL2005775 |
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| EC No. | 218-602-9 |
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| DTXSID | DTXSID00176395 |
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| Lokaler Name | 2-Brom-4-tert-butylphenol |
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Chemische & physikalische Eigenschaften
| XLogP | 3,9 |
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| Polarare Oberfläche (TPSA) | 20,2 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 150 |
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| Schmelzpunkt | 51°C(lit.) |
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| Siedepunkt | 113°C/9mmHg(lit.) |
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| Dichte | 1.341±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
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| Aggregatzustand | Oil |
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| pKa (Säurekonstante) | 8.65±0.18(Predicted) |
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| Farbe | Clear Colourless |
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| InChI | InChI=1S/C10H13BrO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,1-3H3 |
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| InChIKey | FFRLMQPMGIMHHQ-UHFFFAOYSA-N |
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| SMILES | C1(O)=CC=C(C(C)(C)C)C=C1Br |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 12.5% (1 of 8) of reports.WarningH302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 8 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Status: Active Update: 07-03-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19557 |
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| Hazard Classes and Categories | Acute Tox. 4 (75%) |
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| Zollcode | 2908190090 |
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| Gefahrensymbole | Xi |
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| Gefahrenklasse | IRRITANT |
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