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2-Amino-3,5-dibromopyrazine
3,5-DIBROMOPYRAZIN-2-AMINE · Amino-3,5-dibromopyrazine · 2-AMINO-3,5-DIBROMOPYRAZIN · 3,5-DIBROMOPYRAZIN-2-YLAMINE · 2-Amino-3,5-dibromop · 3,5-dibromo-2-aminop · Alprostadil Impurity 16 · 5-dibromo-2-aminopyrazine
Identifikatoren & physikalische Daten
| CAS No. | 24241-18-7 |
|---|---|
| Summenformel | C4H3Br2N3 |
| Durchschnittliche Molmasse | 252,89 g/mol |
| Monoisotopische Masse | 250,8693713 g/mol |
| SMILES | Nc1ncc(Br)nc1Br |
| InChIKey | DTLBKXRFWUERQN-UHFFFAOYSA-N |
| PubChem CID | 620004 |
| EC No. | 628-514-6 |
| DTXSID | DTXSID50347316 |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 51,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 99,8 |
| Schmelzpunkt | 114-117 °C (lit.) |
| Siedepunkt | 294.6±35.0 °C(Predicted) |
| Dichte | 2.287±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| Löslichkeit | soluble in Methanol |
| pKa (Säurekonstante) | 0.81±0.10(Predicted) |
| Aggregatzustand | Powder |
| Farbe | Yellow to brown |
| InChI | InChI=1S/C4H3Br2N3/c5-2-1-8-4(7)3(6)9-2/h1H,(H2,7,8) |
| InChIKey | DTLBKXRFWUERQN-UHFFFAOYSA-N |
| SMILES | C1(N)=NC=C(Br)N=C1Br |
| CAS Datenbank | 24241-18-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (80.4%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 51 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 15-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33599 |
| Hazard Classes and Categories | Acute Tox. 3 (80.4%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2811 6.1/PG 3 |
| Zollcode | 29339900 |
| R-Sätze (R) | 22-37/38-41 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-36/39 |
| Gefahrenklasse | 6.1Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects |
Anwendungen & Verwendung
Verwenden
2-Amino-3,5-dibromopyrazine is used in the preparation of conjugated polymers for neurotoxin detection. 2-Amino-3,5-dibromopyrazine is an intermediate in the preparation of rho kinase (ROCK) inhibitor s.