HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 761929Erstellt: 27. Oktober 2026
5-bromo-1H-indazole
5-BROMO-1H-INDAZOLE · 5-BROMOINDAZOLE · 4-BROMOIMIDAZOLE · SW-4 · SWF-4 · 5-Bromoindazole-2 · 5-Bromoindazole >1H-Indazole, 5-bromo- · 5-Bromo-1H-indazole 97%
https://huagongshe.com/de/chemical/761929
Identifikatoren & physikalische Daten
| CAS No. | 53857-57-1 |
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| Summenformel | C7H5BrN2 |
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| Durchschnittliche Molmasse | 197,03 g/mol |
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| Monoisotopische Masse | 195,96361026 g/mol |
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| SMILES | Brc1ccc2[nH]ncc2c1 |
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| InChIKey | STVHMYNPQCLUNJ-UHFFFAOYSA-N |
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| PubChem CID | 761929 |
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| ChEMBL | CHEMBL16425 |
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| EC No. | 626-190-0 |
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| DTXSID | DTXSID50354020 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
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| Polarare Oberfläche (TPSA) | 28,7 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 1 |
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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 | 129 |
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| Schmelzpunkt | 131-135 °C(lit.) |
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| Siedepunkt | 333.8±15.0 °C(Predicted) |
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| Dichte | 1.770±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | 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) | 12.74±0.40(Predicted) |
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| Farbe | White to Light yellow to Light orange |
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| InChI | InChI=1S/C7H5BrN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10) |
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| InChIKey | STVHMYNPQCLUNJ-UHFFFAOYSA-N |
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| SMILES | N1C2=C(C=C(Br)C=C2)C=N1 |
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| CAS Datenbank | 53857-57-1(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (93.6%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 5 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 (93.6%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 2811 6.1/PG 3 |
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| Zollcode | 29339900 |
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| RTECS-Nr. | NI3517450 |
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| R-Sätze (R) | 25-36/37/38-22-41 |
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| Gefahrensymbole | T,Xn |
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| hazard_note | Harmful |
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| Sicherheitshinweise (S) | 26-36-36/37/39-22-39 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Acute Tox. 4 OralEye Dam. 1 |
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Anwendungen & Verwendung
Verwenden
5-bromo-1H-indazole (5-BIA) is an indazole compound that can be used as a raw material in organic synthesis for the preparation of compounds such as 5-Iodo-1H-indazole and 3,5-Dibromo-1H-indazole. 5-BIA and its derivatives (7-BIA) can also be used as a highly effective corrosion inhibitor for copper and the protective ability of 5-BIA is more prominent than that of 7-BIA. 5-BIA and its derivatives (7-BIA) can also be used as highly efficient corrosion inhibitors for copper, and 5-BIA has a more prominent protective ability than 7-BIA. 1.5 mM 5-BIA and 1.5 mM 7-BIA have corrosion inhibition efficiencies (ηE) as high as 97.1 % and 94.0 %, respectively[1].
