HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 76081Erstellt: 27. Oktober 2026
4-Amino-o-kresol
4-AMINO-O-CRESOL · Phenol, 4-amino-2-methyl- · 4-Amino-o-cresol >4-Amino-o-cresol,97% · 4-Amino-2-methylphen · 4-AMINO-O-CRESOL 98+% · 4-AMINO-2-METHYLPHENOL · 2-METHYL-4-AMINOPHENOL · 4-Amino-o-cresol (OH=1)
https://huagongshe.com/de/chemical/76081
Identifikatoren & physikalische Daten
| CAS No. | 2835-96-3 |
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| Summenformel | C7H9NO |
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| Durchschnittliche Molmasse | 123,15 g/mol |
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| Monoisotopische Masse | 123,06841391 g/mol |
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| SMILES | Cc1cc(N)ccc1O |
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| InChIKey | HDGMAACKJSBLMW-UHFFFAOYSA-N |
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| PubChem CID | 76081 |
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| ChEMBL | CHEMBL3092391 |
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| EC No. | 220-619-1 |
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| DTXSID | DTXSID2062662 |
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| Lokaler Name | 4-Amino-o-kresol |
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Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
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| Polarare Oberfläche (TPSA) | 46,3 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 2 |
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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 |
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| Schmelzpunkt | 174-176 °C(lit.) |
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| Siedepunkt | 229.26°C (rough estimate) |
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| Dichte | 1.0877 (rough estimate) |
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| Brechungsindex | 1.5706 (estimate) |
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| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
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| Löslichkeit | soluble in Methanol |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 10.57±0.18(Predicted) |
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| Farbe | White to Gray to Brown |
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| InChI | InChI=1S/C7H9NO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,8H2,1H3 |
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| InChIKey | HDGMAACKJSBLMW-UHFFFAOYSA-N |
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| SMILES | C1(O)=CC=C(N)C=C1C |
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| CAS Datenbank | 2835-96-3(CAS DataBase Reference) |
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| EPA chemische Informationen | 4-Amino-o-cresol (2835-96-3) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (95.2%): Harmful if swallowed [Warning Acute toxicity, oral]H318 (92.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H334 (92.9%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]P233, P260, P264, P264+P265, P270, P271, P280, P284, P301+P317, P304+P340, P305+P354+P338, P317, P330, P342+P316, P403, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
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| Hazard Classes and Categories | Acute Tox. 4 (95.2%)Eye Dam. 1 (92.9%)Resp. Sens. 1 (92.9%) |
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| Wassergefährdungsklasse (WGK) | 2 |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 2922.29.1000 |
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| R-Sätze (R) | 22-41-43-36/37/38 |
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| Gefahrensymbole | Xn,Xi |
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| Sicherheitshinweise (S) | 26-36/37/39-36 |
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