HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 222701Erstellt: 27. Oktober 2026
2-Bromoisonicotinic acid
2-BROMOISONICOTINIC ACID · IFLAB-BB F1926-0035 · RARECHEM AL BE 1524 · 2-BroMoisonicotinic · 2-Bromopyridine-4-ca · 2-bromoisonicotic acid · 2-bromo-4-piconlic acid · 2-bromo-4-picolinic acid
https://huagongshe.com/de/chemical/222701
Identifikatoren & physikalische Daten
| CAS No. | 66572-56-3 |
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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)c1ccnc(Br)c1 |
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| InChIKey | YBTKGKVQEXAYEM-UHFFFAOYSA-N |
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| PubChem CID | 222701 |
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| EC No. | 626-472-3 |
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| DTXSID | DTXSID90278711 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
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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 | 229-231°C |
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| Siedepunkt | 447.2±30.0 °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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| pKa (Säurekonstante) | 2.98±0.10(Predicted) |
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| Aggregatzustand | Crystals or Crystalline Powder |
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| Farbe | White |
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| BRN | 471895 |
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| InChI | InChI=1S/C6H4BrNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H,9,10) |
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| InChIKey | YBTKGKVQEXAYEM-UHFFFAOYSA-N |
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| SMILES | C1(Br)=NC=CC(C(O)=O)=C1 |
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| CAS Datenbank | 66572-56-3(CAS DataBase Reference) |
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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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29333990 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| hazard_note | Irritant/Keep Cold |
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| Sicherheitshinweise (S) | 26-36-36/37 |
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| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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