HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 10787Erstellt: 26. Oktober 2026
Benzol-1,2,4-triol
Benzene-1,2,4-triol · 1,2,4-TRIHYDROXYBENZENE · HYDROXYHYDROQUINONE · 1,2,4-Benzentril · 4-Hydroxycatechol · Phloroglucinol Impurity 5 · HHQ · NSC 2818
https://huagongshe.com/de/chemical/10787
Identifikatoren & physikalische Daten
| CAS No. | 533-73-3 |
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| Summenformel | C6H6O3 |
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| Durchschnittliche Molmasse | 126,11 g/mol |
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| Monoisotopische Masse | 126,03169405 g/mol |
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| SMILES | Oc1ccc(O)c(O)c1 |
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| InChIKey | GGNQRNBDZQJCCN-UHFFFAOYSA-N |
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| PubChem CID | 10787 |
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| ChEMBL | CHEMBL3092389 |
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| ChEBI | CHEBI:16971 |
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| EC No. | 208-575-1 |
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| DTXSID | DTXSID3040930 |
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| Lokaler Name | Benzol-1,2,4-triol |
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Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
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| Polarare Oberfläche (TPSA) | 60,7 |
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| H-Brücken-Donoren | 3 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 9 |
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| Formalladung | 0 |
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| Komplexität | 94,3 |
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| Kosmetika | Cosmetic ingredients (1,2,4-Trihydroxybenzene) -> CIR (Cosmetic Ingredient Review)Hair dyeing |
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| Schmelzpunkt | 140 °C (subl.) (lit.) |
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| Siedepunkt | 194.21°C (rough estimate) |
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| Dichte | 1.45 g/cm3 (20℃) |
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| Brechungsindex | 1.5627 (estimate) |
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| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
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| Löslichkeit | DMSO (Sparingly), Methanol (Slightly)freely soluble |
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| Aggregatzustand | Solid |
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| pKa (Säurekonstante) | 9.58±0.10(Predicted) |
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| Farbe | Plates from Et2O |
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| Merck | 14,1073 |
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| BRN | 2042863 |
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| Stabilität | Light Sensitive, Moisture Sensitive |
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| Kosmetik-Inhaltsstoffe Funktionen | HAIR DYEING |
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| InChI | 1S/C6H6O3/c7-4-1-2-5(8)6(9)3-4/h1-3,7-9H |
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| InChIKey | GGNQRNBDZQJCCN-UHFFFAOYSA-N |
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| SMILES | Oc1ccc(O)c(O)c1 |
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| CAS Datenbank | 533-73-3(CAS DataBase Reference) |
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| NIST chemische Informationen | 1,2,4-Benzenetriol(533-73-3) |
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| EPA chemische Informationen | 1,2,4-Benzenetriol (533-73-3) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (92.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 52 reports by companies from 7 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 (92.3%) |
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| Toxizitätsübersicht | The Expert Panel for Cosmetic Ingredient Safety concluded that 1,2,4-Trihydroxybenzene is safe for use as a hair dye ingredient in the present practices of use and concentration described in this safety assessment.Safe for use in cosmetics, with qualifications |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 2907 29 00 |
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| RTECS-Nr. | DC4200000 |
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| R-Sätze (R) | 22-37/38-41-36/37/38-20/21/22 |
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| Toxizität | oms-hmn:lym 50 mmol/L CNREA8 45,2471,85 |
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| Gefahrensymbole | Xn,Xi |
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| hazard_note | Irritant/Keep Cold/Air Sensitive |
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| Sicherheitshinweise (S) | 26-39-36/37/39-22 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
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