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2-Chlor-4,6-dinitroanilin
2-Chloro-4,6-dinitro · TIMTEC-BB SBB003373 · TIMTEC-BB SBB003374 · CHLORODINITROANILINE · 6-CHLORO-2,4-DINITRO · LABOTEST-BB LT00159757 · 2-Chlor-4,6-dinitroanilin · Pendimethalin Impurity 20
Identifikatoren & physikalische Daten
| CAS No. | 3531-19-9 |
|---|---|
| Summenformel | C6H4ClN3O4 |
| Durchschnittliche Molmasse | 217,57 g/mol |
| Monoisotopische Masse | 216,98903329 g/mol |
| SMILES | Nc1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] |
| InChIKey | LHRIICYSGQGXSX-UHFFFAOYSA-N |
| PubChem CID | 19052 |
| EC No. | 222-564-9 |
| DTXSID | DTXSID6063062 |
| Lokaler Name | 2-Chlor-4,6-dinitroanilin |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 118 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 250 |
| Stoffklassen | Textile |
| Schmelzpunkt | 157-159 °C(lit.) |
| Siedepunkt | 280°C (rough estimate) |
| Dichte | 2.0410 (rough estimate) |
| Brechungsindex | 1.6000 (estimate) |
| pKa (Säurekonstante) | -6.83±0.10(Predicted) |
| Aggregatzustand | powder |
| InChI | InChI=1S/C6H4ClN3O4/c7-4-1-3(9(11)12)2-5(6(4)8)10(13)14/h1-2H,8H2 |
| InChIKey | LHRIICYSGQGXSX-UHFFFAOYSA-N |
| SMILES | C1(N)=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C1Cl |
| CAS Datenbank | 3531-19-9(CAS DataBase Reference) |
| EPA chemische Informationen | 2-Chloro-4,6-dinitroaniline (3531-19-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH300 (88.6%): Fatal if swallowed [Danger Acute toxicity, oral]P260, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Not Classified |
|---|---|
| Hazard Classes and Categories | Acute Tox. 2 (88.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2811 6.1/PG 3 |
| Zollcode | 29214200 |
| RTECS-Nr. | BX9250000 |
| R-Sätze (R) | 20/21/22-36/37/38-51/53-33-26/27/28 |
| Gefahrensymbole | Xn,N,T+ |
| Sicherheitshinweise (S) | 26-28-36/37/39-45-61-36/37 |
| Gefahrenklasse | 6.1Acute Tox. 1 DermalAcute Tox. 2 InhalationAcute Tox. 2 OralAquatic Chronic 2STOT RE 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
Anwendungen & Verwendung
Verwenden
6-Chloro-2,4-dinitroaniline is a useful aromatic building block, and has aquatic toxicity properties.