HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 14856Erstellt: 27. Oktober 2026
3-Chlor-o-kresol
3-chloro-o-cresol · o-Cresol, 3-chloro- · 3-Chloro-2-methylphenol · Phenol, 3-chloro-2-methyl- · 3-Chloro-2-methylphenol 98% · 3-Chloro-2-methylphenol CAS NO.3260-87-5 · 2-Chloro-6-hydroxytoluene, 3-Chloro-o-cresol
https://huagongshe.com/de/chemical/14856
Identifikatoren & physikalische Daten
| CAS No. | 3260-87-5 |
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| Summenformel | C7H7ClO |
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| Durchschnittliche Molmasse | 142,58 g/mol |
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| Monoisotopische Masse | 142,01854252 g/mol |
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| SMILES | Cc1c(O)cccc1Cl |
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| InChIKey | WADQOGCINABPRT-UHFFFAOYSA-N |
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| PubChem CID | 14856 |
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| EC No. | 221-861-0 |
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| DTXSID | DTXSID80186295 |
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| Lokaler Name | 3-Chlor-o-kresol |
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Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
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| Polarare Oberfläche (TPSA) | 20,2 |
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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 | 9 |
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| Formalladung | 0 |
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| Komplexität | 94,9 |
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| Arzneimittel | Pharmaceuticals |
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| Schmelzpunkt | 86 °C |
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| Siedepunkt | 225 °C |
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| Dichte | 1.1104 (rough estimate) |
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| Brechungsindex | 1.5449 (estimate) |
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| Lagerbedingungen | Inert atmosphere,Room Temperature |
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| Aggregatzustand | powder |
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| pKa (Säurekonstante) | 9.35±0.10(Predicted) |
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| Farbe | Brown |
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| InChI | 1S/C7H7ClO/c1-5-6(8)3-2-4-7(5)9/h2-4,9H,1H3 |
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| InChIKey | WADQOGCINABPRT-UHFFFAOYSA-N |
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| SMILES | Cc1c(O)cccc1Cl |
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| CAS Datenbank | 3260-87-5(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (95.2%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 4 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 (95.2%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| UN-Transportnummer | 3437 |
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| Zollcode | 29081990 |
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| R-Sätze (R) | 21/22-41-43-50-38-36 |
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| Gefahrensymbole | Xi,Xn |
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| Sicherheitshinweise (S) | 26-36/37/39-28 |
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| Gefahrenklasse | IRRITANT, IRRITANT-HARMFULAcute Tox. 4 OralAquatic Chronic 2Eye Irrit. 2 |
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| Lagerklasse | 11 - Combustible Solids |
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