HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 101494Erstellt: 27. Oktober 2026
5-Bromo-2(1H)-pyrimidinone
2-HYDROXY-5-BROMOPYRIMIDINE · B38905 · 5-BROMO-2-PYRIMIDINOL · 5-Bromopyrimidin-2-one · 5-BROMO-PYRIMIDIN-2-OL · 2-PyriMidinol, 5-broMo- · 5-BROMO-2(1H)-PYRIMIDINONE · 2(1H)-PYRIMIDINONE, 5-BROMO-
https://huagongshe.com/de/chemical/101494
Identifikatoren & physikalische Daten
| CAS No. | 214290-49-0 |
|---|
| Summenformel | C4H3BrN2O |
|---|
| Durchschnittliche Molmasse | 174,98 g/mol |
|---|
| Monoisotopische Masse | 173,94287482 g/mol |
|---|
| SMILES | O=c1ncc(Br)c[nH]1 |
|---|
| InChIKey | VTUDATOSQGYWML-UHFFFAOYSA-N |
|---|
| PubChem CID | 101494 |
|---|
| EC No. | 253-896-2 |
|---|
| DTXSID | DTXSID8068090 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
|---|
| Polarare Oberfläche (TPSA) | 41,5 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 1 |
|---|
| Frei drehbare Bindungen | 0 |
|---|
| Schwere Atome | 8 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 173 |
|---|
| Schmelzpunkt | 230 °C (dec.)(lit.) |
|---|
| Siedepunkt | 371.3±34.0 °C(Predicted) |
|---|
| Dichte | 1.933±0.06 g/cm3(Predicted) |
|---|
| Lagerbedingungen | Sealed in dry,Room Temperature |
|---|
| Aggregatzustand | solid |
|---|
| pKa (Säurekonstante) | 7.16±0.10(Predicted) |
|---|
| Farbe | Light yellow |
|---|
| CAS Datenbank | 214290-49-0(CAS DataBase Reference) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
|---|
| Wassergefährdungsklasse (WGK) | 3 |
|---|
| Zollcode | 29335990 |
|---|
| R-Sätze (R) | 36/37/38 |
|---|
| Gefahrensymbole | Xi |
|---|
| Sicherheitshinweise (S) | 26-36-36/37/39 |
|---|
| Gefahrenklasse | IRRITANT |
|---|
