HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Brom-5-nitro-1,3-thiazol
AKOS 90293 · BUTTPARK 43\57-57 · 2-BroMo-5-nitrothiazol · 5-Nitro-2-bromothiazole · 2-BROMO-5-NITROTHIAZOLE · BROMO(2-)-5-NITRO THIAZOLE · Thiazole, 2-bromo-5-nitro- · 2-Bromo-5-nitrothiazole >2-Bromo-5-nitrothiazole ,98%
Identifikatoren & physikalische Daten
| CAS No. | 3034-48-8 |
|---|---|
| Summenformel | C3HBrN2O2S |
| Durchschnittliche Molmasse | 209,02 g/mol |
| Monoisotopische Masse | 207,89421037 g/mol |
| SMILES | O=[N+]([O-])c1cnc(Br)s1 |
| InChIKey | ANIJFZVZXZQFDH-UHFFFAOYSA-N |
| PubChem CID | 18211 |
| EC No. | 221-226-8 |
| DTXSID | DTXSID4062804 |
| Lokaler Name | 2-Brom-5-nitro-1,3-thiazol |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 87 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 127 |
| Schmelzpunkt | 85-88 °C (dec.) (lit.) |
| Siedepunkt | 289.7±13.0 °C(Predicted) |
| Dichte | 2.1273 (estimate) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| pKa (Säurekonstante) | -2.84±0.10(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | Yellow to brown |
| Löslichkeit | Slightly soluble in water. |
| BRN | 4856 |
| InChI | InChI=1S/C3HBrN2O2S/c4-3-5-1-2(9-3)6(7)8/h1H |
| InChIKey | ANIJFZVZXZQFDH-UHFFFAOYSA-N |
| SMILES | S1C([N+]([O-])=O)=CN=C1Br |
| CAS Datenbank | 3034-48-8(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Bromo-5-nitrothiazole(3034-48-8) |
| EPA chemische Informationen | Thiazole, 2-bromo-5-nitro- (3034-48-8) |
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. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29339900 |
| RTECS-Nr. | XJ2986000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-Bromo-5-nitrothiazole is used as a building block. It is used as an intermediate to produce other chemicals.