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HCID 22833Erstellt: 27. Oktober 2026
4-Chloro-2,5-dimethoxyaniline
4-CHLORO-2,5-DIMETHOXYANILINE · C8H10CINO2 · 4-Chlor-2,5-dimethoxyanilin · TIMTEC-BB SBB003681 · 4-Chloro-2,5-dimetho · Chloro-2,5-diMethoxyan · 2,5-DIMETHOXY-4-CHLORANILINE · 4-chloro-2,5-dimethoxy-anilin
https://huagongshe.com/de/chemical/22833
Identifikatoren & physikalische Daten
| CAS No. | 6358-64-1 |
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| Summenformel | C8H10ClNO2 |
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| Durchschnittliche Molmasse | 187,62 g/mol |
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| Monoisotopische Masse | 187,04000624 g/mol |
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| SMILES | COc1cc(Cl)c(OC)cc1N |
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| InChIKey | YGUFQYGSBVXPMC-UHFFFAOYSA-N |
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| PubChem CID | 22833 |
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| ChEMBL | CHEMBL1901690 |
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| EC No. | 228-782-0 |
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| DTXSID | DTXSID9040718 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
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| Polarare Oberfläche (TPSA) | 44,5 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 145 |
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| Collision Cross Section | 133.0 Ų [M]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID9040718] |
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| Schmelzpunkt | 118-120 °C(lit.) |
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| Siedepunkt | 310.2±37.0 °C(Predicted) |
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| Dichte | 1.2384 (rough estimate) |
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| Dampfdruck | 0.004Pa at 20℃ |
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| Brechungsindex | 1.5790 (estimate) |
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| Flammpunkt | 163°C |
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| Lagerbedingungen | Storage temp. 2-8°C |
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| Löslichkeit | Chloroform (Slightly), DMSO (Slightly) |
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| pKa (Säurekonstante) | 3.48±0.10(Predicted) |
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| Aggregatzustand | Crystalline Powder |
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| Farbe | Off-white to brown |
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| BRN | 880445 |
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| InChIKey | YGUFQYGSBVXPMC-UHFFFAOYSA-N |
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| LogP (Verteilungskoeffizient) | 1.93 at 23℃ and pH5-6 |
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| CAS Datenbank | 6358-64-1(CAS DataBase Reference) |
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| NIST chemische Informationen | Aniline, 4-chloro-2,5-dimethoxy-(6358-64-1) |
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| EPA chemische Informationen | 4-Chloro-2,5-dimethoxyaniline (6358-64-1) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.9% (1 of 54) of reports.WarningH302 (94.4%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P270, P273, P301+P317, P319, P330, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 54 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 | Status: Active Update: 23-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/1982 |
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| Hazard Classes and Categories | Acute Tox. 4 (94.4%) |
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| Wassergefährdungsklasse (WGK) | 1 |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 2921.42.9000 |
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| RTECS-Nr. | BX1225000 |
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| R-Sätze (R) | 36/37/38-22 |
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| Gefahrensymbole | Xi,Xn |
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| Sicherheitshinweise (S) | 26-36 |
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