HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Bromo-2'-hydroxyacetophenone
2-broMo-1-(2-hydroxyphenyl)ethan-1-one · 2-AMINO-3'2-Bromo-2′Cyclohexane Impurity 4 · 2-HYDROXYPHENACYL BROMIDE · 2-BROMO-2'-HYDROXYACETOPHENONE · 2-Bromo-2’-hydroxyacetophenone · 2-(2-bromoacetyl)hydroxybenzene · 2-Bromo-2'-hydroxylacetophenone · 2-Bromo-2'-hydroxyacetophenone 97%
Identifikatoren & physikalische Daten
| CAS No. | 2491-36-3 |
|---|---|
| Summenformel | C8H7BrO2 |
| Durchschnittliche Molmasse | 215,04 g/mol |
| Monoisotopische Masse | 213,96294156 g/mol |
| SMILES | O=C(CBr)c1ccccc1O |
| InChIKey | SGPKEYSZPHMVNI-UHFFFAOYSA-N |
| PubChem CID | 200671 |
| EC No. | 626-439-3 |
| DTXSID | DTXSID90179618 |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 147 |
| Schmelzpunkt | 44-48 °C(lit.) |
| Siedepunkt | 152-158 °C(Press: 18 Torr) |
| Dichte | 1.622±0.06 g/cm3(Predicted) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| Löslichkeit | Chloroform, Methanol |
| pKa (Säurekonstante) | 7.63±0.30(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Yellow |
| InChI | 1S/C8H7BrO2/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4,10H,5H2 |
| InChIKey | SGPKEYSZPHMVNI-UHFFFAOYSA-N |
| SMILES | Oc1ccccc1C(=O)CBr |
| CAS Datenbank | 2491-36-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): 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 45 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 |
| UN-Transportnummer | UN 3263 8/PG 2 |
| Zollcode | 29147000 |
| RTECS-Nr. | KM5556400 |
| R-Sätze (R) | 22-34 |
| Toxizität | mouse,LD50,oral,821mg/kg (821mg/kg),BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)LUNGS, THORAX, OR RESPIRATION: DYSPNEABEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD,Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 183, 1992. |
| Gefahrensymbole | C |
| hazard_note | Corrosive/Lachrymatory/Keep Cold |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Acute Tox. 4 OralSkin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
2-Bromo-2′-hydroxyacetophenone is used as a pharmaceutical intermediate.