HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 2772093Erstellt: 27. Oktober 2026
5-bromo-1-methyl-3-nitro-1H-1,2,4-triazole
5-BROMO-1-METHYL-3-NITRO-1H-[1,2,4]TRIAZOLE · 1H-1,2,4-Triazole, 5-bromo-1-methyl-3-nitro-
https://huagongshe.com/de/chemical/2772093
Identifikatoren & physikalische Daten
| CAS No. | 31123-19-0 |
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| Summenformel | C3H3BrN4O2 |
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| Durchschnittliche Molmasse | 206,99 g/mol |
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| Monoisotopische Masse | 205,94394 g/mol |
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| SMILES | Cn1nc([N+](=O)[O-])nc1Br |
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| InChIKey | BILVAFUMOLVWDJ-UHFFFAOYSA-N |
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| PubChem CID | 2772093 |
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| EC No. | 832-462-1 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
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| Polarare Oberfläche (TPSA) | 76,5 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 148 |
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| Siedepunkt | 402.4±28.0 °C(Predicted) |
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| Dichte | 2.31±0.1 g/cm3(Predicted) |
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| pKa (Säurekonstante) | -4.01±0.10(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
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