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4-Amino-5-bromo-2-chloropyrimidine
5-Bromo-2-chloropyrimidin-4-amine · CAS:205672-25-9 · 4-Amino-5-bromo-2-chloropyrimidin · 5-BroMo-2-chloro-4-pyriMidinaMine · 4-AMINO-5-BROMO-2-CHLOROPYRIMIDINE · 4-Pyrimidinamine, 5-bromo-2-chloro- · 5-BroMo-2-chloro-pyriMidin-4-ylaMine · 4-AMINO-5-BROMO-2-CHLOROPYRIMIDINE, 95+%
Identifikatoren & physikalische Daten
| CAS No. | 205672-25-9 |
|---|---|
| Summenformel | C4H3BrClN3 |
| Durchschnittliche Molmasse | 208,44 g/mol |
| Monoisotopische Masse | 206,91988688 g/mol |
| SMILES | Nc1nc(Cl)ncc1Br |
| InChIKey | QOWALNIZDHZTSM-UHFFFAOYSA-N |
| PubChem CID | 2763293 |
| EC No. | 639-424-1 |
| DTXSID | DTXSID00376878 |
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 | 102 |
| Schmelzpunkt | 187-188 °C(Solv: acetonitrile (75-05-8)) |
| Siedepunkt | 369.8±22.0 °C(Predicted) |
| Dichte | 1.960±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| pKa (Säurekonstante) | 0.68±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Clear brown to purple |
| Löslichkeit | Slightly soluble in water. |
| InChI | InChI=1S/C4H3BrClN3/c5-2-1-8-4(6)9-3(2)7/h1H,(H2,7,8,9) |
| InChIKey | QOWALNIZDHZTSM-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NC=C(Br)C(N)=N1 |
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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| UN-Transportnummer | UN2811 |
| Zollcode | 29335990 |
| R-Sätze (R) | 22-37/38-41-36/37/38 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-39-36/37/39 |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Gefahrenklasse | Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
4-Amino-5-bromo-2-chloropyrimidine is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals.