HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-(3,5-Dibrom-4-hydroxyphenyl)ethan-1-on
AKOS BC-1523 · 2,6-Dibromo-4-acetylphenol · 3,5-Dibromo-p-hydroxyhypnone · 3,5-DIBROMO-4-HYDROXYACETOPHENONE · 3,5-dibrom0-4-hydroxyacetophenone · 3',5'-Dibromo-4'-hydroxyacetophenone · 3'',5''-Dibromo-4''-hydroxyacetophenoe · 3',5'-Dibromo-4'-hydroxyacetophenone>1-(3,5-DibroMo-4-hydroxyphenyl)ethanone
Identifikatoren & physikalische Daten
| CAS No. | 2887-72-1 |
|---|---|
| Summenformel | C8H6Br2O2 |
| Durchschnittliche Molmasse | 293,94 g/mol |
| Monoisotopische Masse | 291,87345363 g/mol |
| SMILES | CC(=O)c1cc(Br)c(O)c(Br)c1 |
| InChIKey | ZNWPTJSBHHIXLJ-UHFFFAOYSA-N |
| PubChem CID | 76158 |
| EC No. | 220-750-4 |
| DTXSID | DTXSID70183071 |
| Lokaler Name | 1-(3,5-Dibrom-4-hydroxyphenyl)ethan-1-on |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 172 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 182-187 °C(lit.) |
| Siedepunkt | 337.7±42.0 °C(Predicted) |
| Dichte | 1.936±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C, stored under nitrogen |
| Löslichkeit | very faint turbidity in hot Methanol |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 5.11±0.23(Predicted) |
| Farbe | White to Almost white |
| InChI | 1S/C8H6Br2O2/c1-4(11)5-2-6(9)8(12)7(10)3-5/h2-3,12H,1H3 |
| InChIKey | ZNWPTJSBHHIXLJ-UHFFFAOYSA-N |
| SMILES | CC(=O)c1cc(Br)c(O)c(Br)c1 |
| CAS Datenbank | 2887-72-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, 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. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (95.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1759 8/PG 3 |
| Zollcode | 2914790090 |
| R-Sätze (R) | 22-34 |
| Gefahrensymbole | C,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
| Gefahrenklasse | Acute Tox. 4 OralSkin Corr. 1B |
Herstellung & Synthese
synthetische
Preparation by bromination of 4-hydroxyacetophenone in dilute acetic acid (94%)，(80%), (75%) (62%).