HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5,5-Dibrombarbitursure
Dibromin · 5,5-Dibromobarbituric acid · 5,5-Di BroMo Barbutyric Acid · Barbituric acid, 5,5-dibromo- · 5,5-Dibromobarbituric acid 97% · 5,5-Dibromobarbituric acid, 95% · 5,5-DibroMo-pyriMidine-2,4,6-trione · 5,5-dibromo-1,3-diazinane-2,4,6-trione
Identifikatoren & physikalische Daten
| CAS No. | 511-67-1 |
|---|---|
| Summenformel | C4H2Br2N2O3 |
| Durchschnittliche Molmasse | 285,88 g/mol |
| Monoisotopische Masse | 283,84322 g/mol |
| SMILES | O=C1NC(=O)C(Br)(Br)C(=O)N1 |
| InChIKey | AMATXUCYHHHHHB-UHFFFAOYSA-N |
| PubChem CID | 94877 |
| EC No. | 208-131-7 |
| DTXSID | DTXSID20199107 |
| Lokaler Name | 5,5-Dibrombarbitursure |
Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 75,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 228 |
| Schmelzpunkt | 240-242 °C(lit.) |
| Dichte | 2.5685 (rough estimate) |
| Brechungsindex | 1.6220 (estimate) |
| Lagerbedingungen | Storage temp. 2-8°C |
| Löslichkeit | DMSO (Sparingly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | pKa 5.68±0.02(H2O t=25.0±0.02 I=0.00)(Approximate) |
| Farbe | Pale Beige to Light Orange |
| Stabilität | Moisture Sensitive |
| InChI | InChI=1S/C4H2Br2N2O3/c5-4(6)1(9)7-3(11)8-2(4)10/h(H2,7,8,9,10,11) |
| InChIKey | AMATXUCYHHHHHB-UHFFFAOYSA-N |
| SMILES | C1(=O)NC(=O)C(Br)(Br)C(=O)N1 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 2933599590 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
5,5-Dibromobarbituric acid was used in the synthesis of condensed pteridine system by undergoing condensation with 4,5-diamino-pyrimidines in the presence of pyridine.