HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 736409Erstellt: 26. Oktober 2026
1-(5-Bromo-2-hydroxyphenyl)propan-1-one
5‘-Bromo-2’-hydroxypropiophene · 5'-Bromo-2'-hydroxypropiophenone · 5'-Bromo-2'-hydroxypropiophenone >5'-Bromo-2'-hydroxypropiophenone 97 · 1-(5-bromo-2-hydroxyphenyl)-1-propanone · 1-Propanone, 1-(5-bromo-2-hydroxyphenyl)- · 5′-Bromo-2′-hydroxypropiophenone, CAS 17764-93-1 · 1-(5-Bromo-2-hydroxyphenyl)propan-1-one - [B93501] · JRH-01104, 1-(5-Bromo-2-hydroxyphenyl)propan-1-one, 97%
https://huagongshe.com/de/chemical/736409
Identifikatoren & physikalische Daten
| CAS No. | 17764-93-1 |
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| Summenformel | C9H9BrO2 |
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| Durchschnittliche Molmasse | 229,07 g/mol |
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| Monoisotopische Masse | 227,97859163 g/mol |
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| SMILES | CCC(=O)c1cc(Br)ccc1O |
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| InChIKey | NDXLYRKTHTZXRC-UHFFFAOYSA-N |
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| PubChem CID | 736409 |
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| EC No. | 626-337-9 |
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| DTXSID | DTXSID70938967 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
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| Polarare Oberfläche (TPSA) | 37,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 170 |
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| Schmelzpunkt | 78-79°C |
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| Siedepunkt | 156°C/21mmHg(lit.) |
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| Dichte | 1.506±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | RT, stored under nitrogen |
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| pKa (Säurekonstante) | 7.68±0.48(Predicted) |
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| Aggregatzustand | powder to crystal |
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| Farbe | White to Light yellow to Light orange |
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| InChI | 1S/C9H9BrO2/c1-2-8(11)7-5-6(10)3-4-9(7)12/h3-5,12H,2H2,1H3 |
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| InChIKey | NDXLYRKTHTZXRC-UHFFFAOYSA-N |
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| SMILES | CCC(=O)c1cc(Br)ccc1O |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 3 (97.6%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 2811 6.1/PG 3 |
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| Zollcode | 2914500090 |
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| R-Sätze (R) | 22 |
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| Gefahrensymbole | Xn |
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| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
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| Gefahrenklasse | Acute Tox. 3 Oral |
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Herstellung & Synthese
synthetische
Preparation by Fries rearrangement of 4-bromophenyl propionate with aluminium chloride at 165° for 1 h (97%), at 150–160° for 30 min or at 120° for 30–40 min (80%) Preparation by bromination of o-hydroxypropiophenone with bromine in 80% aqueous acetic acid at r.t. (66%) Also obtained by acylation of p-bromophenol with propionic acid in the presence of boron trifluoride in a sealed tube at 120° for 1 h (59%).
