HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Bromo-1-chloro-2-(4-ethoxy-benzyl)-benzene
5-bromo-2-chloro-4’-ethoxydiphenylmethane · 4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene · Benzene, 4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]- · 1-(5-broMo-2-chlorobenzyl)-4-ethoxybenzene · 4-(Dibenzofuranyl)boronic · Dapagliflozin Bromo impurity · 5-bromo-2-chloro-4'-ethoxydiphenylmethane · 4-(5-Bromo-2-chlorobenzyl)phenyl ethyl ether
Identifikatoren & physikalische Daten
| CAS No. | 461432-23-5 |
|---|---|
| Summenformel | C15H14BrClO |
| Durchschnittliche Molmasse | 325,63 g/mol |
| Monoisotopische Masse | 323,99165485 g/mol |
| SMILES | CCOc1ccc(Cc2cc(Br)ccc2Cl)cc1 |
| InChIKey | ZUNCHZBITMUSRD-UHFFFAOYSA-N |
| PubChem CID | 9996449 |
| EC No. | 636-921-5 |
| DTXSID | DTXSID60433931 |
Chemische & physikalische Eigenschaften
| XLogP | 5,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 9,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 241 |
| Siedepunkt | 393.0±32.0 °C(Predicted) |
| Dichte | 1.371±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Acetonitrile (Slightly), DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Low-Melting Solid |
| Farbe | White to Off-White |
| Stabilität | Stable under recommended storage conditions., Stable Under Recommended Storage C |
| InChI | InChI=1S/C15H14BrClO/c1-2-18-14-6-3-11(4-7-14)9-12-10-13(16)5-8-15(12)17/h3-8,10H,2,9H2,1H3 |
| InChIKey | ZUNCHZBITMUSRD-UHFFFAOYSA-N |
| SMILES | C1(Cl)=CC=C(Br)C=C1CC1=CC=C(OCC)C=C1 |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.1% (1 of 48) of reports.DangerH302 (14.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P321, P330, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 13-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22914 |
| Hazard Classes and Categories | Acute Tox. 4 (14.6%) |
| Zollcode | 2909309090 |
Anwendungen & Verwendung
Verwenden
5-Bromo-2-chloro-4'-ethoxydiphenylmethane is a hydrocarbon derivative and can be used as an intermediate for dapagliflozin.