HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Bromo-7-Nitroindazole
BRNI · 3-BROMO-7-NITRO-1H-INDAZOLE · 3-Bromo-7-nitroindaz · 3-Bromo-7-nitroindazole · 7-NITROINDAZOLE, 3-BROMO- · 1H-INDAZOLE,3-BROMO-7-NITRO- · 3-BroMo-7-nitro-1H-indazo... · 3-Bromo-7-nitroindazole, 98+%
Identifikatoren & physikalische Daten
| CAS No. | 74209-34-0 |
|---|---|
| Summenformel | C7H4BrN3O2 |
| Durchschnittliche Molmasse | 242,03 g/mol |
| Monoisotopische Masse | 240,94869 g/mol |
| SMILES | O=[N+]([O-])c1cccc2c(Br)[nH]nc12 |
| InChIKey | NFSTZPMYAZRZPC-UHFFFAOYSA-N |
| PubChem CID | 1649 |
| ChEMBL | CHEMBL479014 |
| EC No. | 636-128-4 |
| DTXSID | DTXSID90274319 |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 74,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 220 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Schmelzpunkt | 175-185 °C |
| Siedepunkt | 182°C |
| Dichte | 1.8856 (rough estimate) |
| Brechungsindex | 1.6200 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| Löslichkeit | ethanol: 25 mg/mL |
| Aggregatzustand | powder |
| pKa (Säurekonstante) | 7.85±0.40(Predicted) |
| Farbe | light yellow |
| InChI | InChI=1S/C7H4BrN3O2/c8-7-4-2-1-3-5(11(12)13)6(4)9-10-7/h1-3H,(H,9,10) |
| InChIKey | NFSTZPMYAZRZPC-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=CC=C2[N+]([O-])=O)C(Br)=N1 |
| CAS Datenbank | 74209-34-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]P203, P280, P318, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Repr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2933998090 |
| R-Sätze (R) | 60 |
| Gefahrensymbole | T |
| hazard_note | Harmful to reproduction |
| Sicherheitshinweise (S) | 53-22-36/37/39-45 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
A more potent inhibitor of rat cerebellar nitric oxide synthase than 7-nitroindazole