HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-(Bromomethyl)-1,2-dihydroquinoxalin-2-one
NSC 144168 · 3-BROMOMETHYLQUINOXALIN-2-ONE · 3-Bromomethyl-1H-quinoxalin-2-one · 3-Bromomethyl-2(1H)-quinoxalinone · 3-(BROMOMETHYL)QUINOXALIN-2(1H)-ONE · 3-(BROMOMETHYL)QUINOXALINE-2(1H)-ONE · 2(1H)-Quinoxalinone, 3-(bromomethyl)- · 3-(Bromomethyl)quinoxalin-2(1H)-one97%
Identifikatoren & physikalische Daten
| CAS No. | 62235-61-4 |
|---|---|
| Summenformel | C9H7BrN2O |
| Durchschnittliche Molmasse | 239,07 g/mol |
| Monoisotopische Masse | 237,97417494 g/mol |
| SMILES | O=c1[nH]c2ccccc2nc1CBr |
| InChIKey | SOTAKCFOTFCVSS-UHFFFAOYSA-N |
| PubChem CID | 286254 |
| ChEMBL | CHEMBL1973412 |
| EC No. | 624-084-9 |
| DTXSID | DTXSID70211287 |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 41,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 252 |
| Schmelzpunkt | 202 °C (dec.)(lit.) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| CAS Datenbank | 62235-61-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (11.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (11.4%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN1759 |
| Zollcode | 2933998090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 8 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
3-(Bromomethyl)Quinoxalin-2(1h)-One is used in preparation of benzoxazinone derivatives as GlyT1 inhibitors useful in the treatment of GlyT1 mediated disorders.