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HCID 81149Erstellt: 26. Oktober 2026
4,5-Dichlor-2-nitroanilin
3,4-DICHLORO-6-NITROANILINE · 4,5-DICHLORO-2-NITROBENZENAMINE · TIMTEC-BB SBB003477 · Maribavir Impurity 58 · 4,5-Dichlor-2-nitroanilin · 2-NITRO-4,5-DICHLOROANILINE · 4,5-DICHLORO-2-NITROANILINE · 4,5-dichloro-2-niotroaniline
https://huagongshe.com/de/chemical/81149
Identifikatoren & physikalische Daten
| CAS No. | 6641-64-1 |
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| Summenformel | C6H4Cl2N2O2 |
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| Durchschnittliche Molmasse | 207,01 g/mol |
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| Monoisotopische Masse | 205,96498273 g/mol |
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| SMILES | Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-] |
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| InChIKey | FSGTULQLEVAYRS-UHFFFAOYSA-N |
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| PubChem CID | 81149 |
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| ChEMBL | CHEMBL4451591 |
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| EC No. | 229-657-3 |
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| DTXSID | DTXSID0073376 |
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| Lokaler Name | 4,5-Dichlor-2-nitroanilin |
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Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
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| Polarare Oberfläche (TPSA) | 71,8 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 185 |
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| Schmelzpunkt | 177-179 °C (lit.) |
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| Siedepunkt | 347.1±37.0 °C(Predicted) |
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| Dichte | 1.624±0.06 g/cm3(Predicted) |
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| Dampfdruck | 0.199Pa at 78.175℃ |
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| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
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| Löslichkeit | DMSO (Slightly), Methanol (Slightly)60.3mg/L at 25℃ |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | -2.24±0.25(Predicted) |
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| Farbe | Light yellow to Brown |
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| InChI | InChI=1S/C6H4Cl2N2O2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,9H2 |
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| InChIKey | FSGTULQLEVAYRS-UHFFFAOYSA-N |
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| SMILES | C1(N)=CC(Cl)=C(Cl)C=C1[N+]([O-])=O |
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| LogP (Verteilungskoeffizient) | 3.31 at 25℃ |
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| CAS Datenbank | 6641-64-1(CAS DataBase Reference) |
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| NIST chemische Informationen | 4,5-Dichloro-2-nitroaniline(6641-64-1) |
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| EPA chemische Informationen | 4,5-Dichloro-2-nitroaniline (6641-64-1) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH300 (83.7%): Fatal if swallowed [Danger Acute toxicity, oral]P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Status: Cease Manufacture Update: 08-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20509 |
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| Hazard Classes and Categories | Acute Tox. 2 (83.7%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | 2811 |
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| Zollcode | 29214200 |
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| R-Sätze (R) | 20/21/22-36/37/38 |
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| Gefahrensymbole | Xn |
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| hazard_note | Harmful |
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| Sicherheitshinweise (S) | 26-37/39-36/37/39-22 |
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| Gefahrenklasse | 6.1(b)Acute Tox. 1 DermalAcute Tox. 2 InhalationAcute Tox. 2 OralAquatic Chronic 2STOT RE 2 |
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| Verpackungsgruppe | III |
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| Lagerklasse | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
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