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HCID 7429Erstellt: 3. November 2026
2,6-Dibrom-4-nitrophenol
2,6-Dibromo-4-nit · 2,6-DibroMo-4-nitrop · 2,6-Dibromo-4-mitrophenol · 2,6-DIBROMO-4-NITROPHENOL · 4-Nitro-2,6-dibromophenol · 2,6-dibromo-4-nitro-pheno · Benzbromarone Impurity 16 · Dibromo-4-nitrophenol, 2,6-
https://huagongshe.com/de/chemical/7429
Identifikatoren & physikalische Daten
| CAS No. | 99-28-5 |
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| Summenformel | C6H3Br2NO3 |
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| Durchschnittliche Molmasse | 296,9 g/mol |
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| Monoisotopische Masse | 294,84797 g/mol |
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| SMILES | O=[N+]([O-])c1cc(Br)c(O)c(Br)c1 |
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| InChIKey | WBHYZUAQCSHXCT-UHFFFAOYSA-N |
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| PubChem CID | 7429 |
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| EC No. | 202-744-3 |
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| DTXSID | DTXSID7059191 |
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| Lokaler Name | 2,6-Dibrom-4-nitrophenol |
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Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
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| Polarare Oberfläche (TPSA) | 66,1 |
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| H-Brücken-Donoren | 1 |
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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 | 172 |
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| SpringerMaterials Properties | Diamagnetic susceptibility |
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| LogP (Verteilungskoeffizient) | 3.07 |
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| Schmelzpunkt | 145 °C (dec.)(lit.) |
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| Siedepunkt | 297.8±40.0 °C(Predicted) |
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| Dichte | 2.3436 (rough estimate) |
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| Brechungsindex | 1.6220 (estimate) |
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| Lagerbedingungen | 2-8°C(protect from light) |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 3.67±0.44(Predicted) |
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| Farbe | White to Orange to Green |
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| BRN | 1245050 |
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| InChI | InChI=1S/C6H3Br2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H |
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| InChIKey | WBHYZUAQCSHXCT-UHFFFAOYSA-N |
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| SMILES | C1(O)=C(Br)C=C([N+]([O-])=O)C=C1Br |
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| CAS Datenbank | 99-28-5(CAS DataBase Reference) |
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| NIST chemische Informationen | 2,6-Dibromo-4-nitrophenol(99-28-5) |
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| EPA chemische Informationen | 2,6-Dibromo-4-nitrophenol (99-28-5) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (87.2%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | T - indicates a substance that is the subject of a final TSCA section 4 test rule. |
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| Hazard Classes and Categories | Acute Tox. 4 (87.2%) |
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| Protective Action Criteria (PAC) | 0.18 [mg/m3]2.0 [mg/m3]12 [mg/m3] |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 29089990 |
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| RTECS-Nr. | SK8025000 |
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| R-Sätze (R) | 20/21/22-36/37/38 |
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| Gefahrensymbole | Xn,C |
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| Sicherheitshinweise (S) | 26-36-37 |
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