HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 5152425Erstellt: 2. November 2026
3-Bromo-5-nitrobenzonitrile
3-Nitro-5-bromobenzonitrile · 3-Bromo-5-nitrobenzonitrile · Benzonitrile, 3-broMo-5-nitro- · 1-Bromo-3-cyano-5-nitrobenzene
https://huagongshe.com/de/chemical/5152425
Identifikatoren & physikalische Daten
| CAS No. | 49674-15-9 |
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| Summenformel | C7H3BrN2O2 |
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| Durchschnittliche Molmasse | 227,01 g/mol |
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| Monoisotopische Masse | 225,93778944 g/mol |
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| SMILES | N#Cc1cc(Br)cc([N+](=O)[O-])c1 |
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| InChIKey | RQGCXODNTLHVQJ-UHFFFAOYSA-N |
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| PubChem CID | 5152425 |
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| EC No. | 801-037-2 |
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| DTXSID | DTXSID60408907 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
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| Polarare Oberfläche (TPSA) | 69,6 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 229 |
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| Schmelzpunkt | 84-85℃ |
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| Siedepunkt | 283℃ |
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| Dichte | 1.81 |
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| Flammpunkt | 125℃ |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | solid |
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| Farbe | Beige |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Zollcode | 2916399090 |
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| Gefahrensymbole | Xi |
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