HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 334079Erstellt: 26. Oktober 2026
tert-Butyl 3-bromobenzoate
t-Butyl-3-bromobenzoate · tert-Butyl-3-bromobenzoate · 3-bromo-2-tert-butylbenzoate · tert-Butyl 3-bromobenzoate 95+% · Tert-Butyl 3-Bromobenzoate,Canonical · 3-Bromobenzoic Acid-tert-Butyl Ester · Benzoic acid, 3-broMo-, 1,1-diMethylethyl ester
https://huagongshe.com/de/chemical/334079
Identifikatoren & physikalische Daten
| CAS No. | 69038-74-0 |
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| Summenformel | C11H13BrO2 |
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| Durchschnittliche Molmasse | 257,12 g/mol |
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| Monoisotopische Masse | 256,00989176 g/mol |
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| SMILES | CC(C)(C)OC(=O)c1cccc(Br)c1 |
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| InChIKey | NPVLZVSAZXTBSR-UHFFFAOYSA-N |
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| PubChem CID | 334079 |
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| EC No. | 614-908-5 |
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| DTXSID | DTXSID30318988 |
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Chemische & physikalische Eigenschaften
| XLogP | 4,2 |
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| Polarare Oberfläche (TPSA) | 26,3 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 208 |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | liquid |
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| Farbe | Colourless |
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| InChI | InChI=1S/C11H13BrO2/c1-11(2,3)14-10(13)8-5-4-6-9(12)7-8/h4-7H,1-3H3 |
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| InChIKey | NPVLZVSAZXTBSR-UHFFFAOYSA-N |
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| SMILES | C(OC(C)(C)C)(=O)C1=CC=CC(Br)=C1 |
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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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Zollcode | 2916399090 |
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