HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 233262Erstellt: 26. Oktober 2026
2-Bromopyridine-3-carboxylic acid
AURORA 23320 · 2-Bromo Niacin · AKOS BBS-00001340 · IFLAB-BB F1921-0015 · 2-BROMONICOTINIC ACID · 2-BROMONICOTINIC ACID 98% · 2-Bromonicotinic Acid >2-Bromonicotinic acid ,99% · 2-Bromonicotinic acid, 96%
https://huagongshe.com/de/chemical/233262
Identifikatoren & physikalische Daten
| CAS No. | 35905-85-2 |
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| Summenformel | C6H4BrNO2 |
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| Durchschnittliche Molmasse | 202,01 g/mol |
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| Monoisotopische Masse | 200,94254047 g/mol |
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| SMILES | O=C(O)c1cccnc1Br |
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| InChIKey | MMWNKXIFVYQOTK-UHFFFAOYSA-N |
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| PubChem CID | 233262 |
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| ChEMBL | CHEMBL1872389 |
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| EC No. | 627-678-6 |
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| DTXSID | DTXSID60283453 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
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| Polarare Oberfläche (TPSA) | 50,2 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 140 |
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| Schmelzpunkt | 200-203 °C(lit.) |
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| Siedepunkt | 339.3±27.0 °C(Predicted) |
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| Dichte | 1.813±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
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| Löslichkeit | soluble in Methanol |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 2.12±0.10(Predicted) |
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| Farbe | White to Light yellow to Light orange |
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| InChI | 1S/C6H4BrNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H,9,10) |
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| InChIKey | MMWNKXIFVYQOTK-UHFFFAOYSA-N |
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| SMILES | OC(=O)c1cccnc1Br |
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| CAS Datenbank | 35905-85-2(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (87%): Harmful if swallowed [Warning Acute toxicity, oral]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)Aggregated GHS information provided per 46 reports by companies from 6 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 (87%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN2811 |
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| Zollcode | 29173990 |
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| R-Sätze (R) | 22-36/37/38 |
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| Gefahrensymbole | Xn,Xi |
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| Sicherheitshinweise (S) | 26 |
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| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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