HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Amino-5-bromopyrazine
5-BROMOPYRAZIN-2-AMINE · BUTTPARK 29\02-91 · 5-BROMOPYRAZINAMINE · 2-Amino-5-bromopyraz · 5-Bromo-2-pyrazinamie · 2-aimo-5-bromopyrazine · 5-BROMO-2-PYRAZINAMINE · 2-Bromo-5-aminopyrazine
Identifikatoren & physikalische Daten
| CAS No. | 59489-71-3 |
|---|---|
| Summenformel | C4H4BrN3 |
| Durchschnittliche Molmasse | 174 g/mol |
| Monoisotopische Masse | 172,95886 g/mol |
| SMILES | Nc1cnc(Br)cn1 |
| InChIKey | KRRTXVSBTPCDOS-UHFFFAOYSA-N |
| PubChem CID | 599539 |
| ChEMBL | CHEMBL4555899 |
| EC No. | 626-202-4 |
| DTXSID | DTXSID00344794 |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 51,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 77 |
| Schmelzpunkt | 113-117 °C (lit.) |
| Siedepunkt | 274.2±35.0 °C(Predicted) |
| Dichte | 1.844±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Ethanol, Ethyl Acetate, Methanol |
| Aggregatzustand | Brown Needles |
| pKa (Säurekonstante) | 1.66±0.10(Predicted) |
| Farbe | Light yellow to Brown |
| InChI | InChI=1S/C4H4BrN3/c5-3-1-8-4(6)2-7-3/h1-2H,(H2,6,8) |
| InChIKey | KRRTXVSBTPCDOS-UHFFFAOYSA-N |
| SMILES | C1(N)=NC=C(Br)N=C1 |
| CAS Datenbank | 59489-71-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (94.2%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (98.1%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (78.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]H318 (78.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (19.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (15.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (94.2%)Skin Irrit. 2 (98.1%)Skin Sens. 1 (78.8%)Eye Dam. 1 (78.8%)Eye Irrit. 2 (19.2%)STOT SE 3 (15.4%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339900 |
| R-Sätze (R) | 22-36/38-43-44-36/37/38-20/21/22 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-37/39-45-36/37/39-22-36/ |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2 |
Anwendungen & Verwendung
Verwenden
Used without prior protection of the amino group in a palladium-catalyzed cross-coupling with pyridylboronic acids leading to pyrazinylpyridines.