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HCID 11348Erstellt: 31. Oktober 2026
3,4-Dinitrophenol
3,4-dnp · 3,4-dinitrofenol · 3,4-Dinitrophenol · 6,5-dinitrophenol · 3,4-dinitro-pheno · Phenol, 3,4-dinitro- · 3,4-Dinitrophenol, wetted · 3,4-Dinitrophenol(wetted with water >15%)
https://huagongshe.com/de/chemical/11348
Identifikatoren & physikalische Daten
| CAS No. | 577-71-9 |
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| Summenformel | C6H4N2O5 |
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| Durchschnittliche Molmasse | 184,11 g/mol |
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| Monoisotopische Masse | 184,01202123 g/mol |
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| SMILES | O=[N+]([O-])c1ccc(O)cc1[N+](=O)[O-] |
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| InChIKey | AKLOLDQYWQAREW-UHFFFAOYSA-N |
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| PubChem CID | 11348 |
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| ChEMBL | CHEMBL3347427 |
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| ChEBI | CHEBI:39358 |
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| EC No. | 209-415-3 |
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| DTXSID | DTXSID80206407 |
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| Lokaler Name | 3,4-Dinitrophenol |
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Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
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| Polarare Oberfläche (TPSA) | 112 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 220 |
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| Schmelzpunkt | 130-135 °C |
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| Siedepunkt | 318.03°C (rough estimate) |
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| Dichte | 1.6720 |
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| Brechungsindex | 1.4738 (estimate) |
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| Löslichkeit | dioxane: soluble1g/10 mL |
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| pKa (Säurekonstante) | 5.35, 5.42(at 25℃) |
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| Farbe | Light yellow needles |
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| BRN | 1969398 |
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| Hauptanwendungen | Lubricants, enzyme assay, antinerve agent, substrate for enzymes, in biotechnological process, for biosensor design |
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| InChI | 1S/C6H4N2O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H |
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| InChIKey | AKLOLDQYWQAREW-UHFFFAOYSA-N |
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| SMILES | Oc1ccc(c(c1)[N+]([O-])=O)[N+]([O-])=O |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301: Toxic if swallowed [Danger Acute toxicity, oral]H311: Toxic in contact with skin [Danger Acute toxicity, dermal]H331: Toxic if inhaled [Danger Acute toxicity, inhalation]H373 **: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement) |
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| Regulatorische Informationen | Phenol, 3,4-dinitro-: HSNO Approval: HSR005382 Approved with controls |
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| Hazard Classes and Categories | Expl. 1.1 (50%)Acute Tox. 3 (100%)STOT RE 2 (100%)Aquatic Chronic 2 (100%)Acute toxicity - category 3Specific target organ toxicity (repeated exposure) - category 2Hazardous to the aquatic environment (chronic) - category 2Acute Tox. 3 *STOT RE 2 *Aquatic Chronic 2 |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 1320 4.1/PG 1 |
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| RTECS-Nr. | SL3000000 |
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| R-Sätze (R) | 23/24/25-33-51/53 |
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| Gefahrensymbole | T,N |
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| Sicherheitshinweise (S) | 28-37-45-61 |
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| Gefahrenklasse | 4.1Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Chronic 2Expl. 1.1STOT RE 2 |
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| Verpackungsgruppe | I |
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| Lagerklasse | 4.1B - Flammable solid hazardous materials |
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