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2,4,5-Trichloranilin
245TCA · C6H4NO5 · NSC 64139 · AKOS BBS-00003553 · TIMTEC-BB SBB003585 · 2,4,5-TRICHLOROANILINE · Aniline, 2,4,5-trichloro- · 2,4,5-Trichloroaniline,97%
Identifikatoren & physikalische Daten
| CAS No. | 636-30-6 |
|---|---|
| Summenformel | C6H4Cl3N |
| Durchschnittliche Molmasse | 196,5 g/mol |
| Monoisotopische Masse | 194,94093217 g/mol |
| SMILES | Nc1cc(Cl)c(Cl)cc1Cl |
| InChIKey | GUMCAKKKNKYFEB-UHFFFAOYSA-N |
| PubChem CID | 12487 |
| EC No. | 211-254-9 |
| DTXSID | DTXSID5044152 |
| Lokaler Name | 2,4,5-Trichloranilin |
Chemische & physikalische Eigenschaften
| XLogP | 3,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 120 |
| Stoffklassen | Textile |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| LogP (Verteilungskoeffizient) | 3.31 |
| Schmelzpunkt | 93-95 °C(lit.) |
| Siedepunkt | 270 °C(lit.) |
| Dichte | 1.6807 (rough estimate) |
| Brechungsindex | 1.6300 (estimate) |
| Flammpunkt | 175 °C |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)0.094 g/L (15 ºC) |
| pKa (Säurekonstante) | 0.96±0.10(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Almost white |
| BRN | 879091 |
| Henry-Konstante | 1.3×101 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| InChI | 1S/C6H4Cl3N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2 |
| InChIKey | GUMCAKKKNKYFEB-UHFFFAOYSA-N |
| SMILES | Nc1cc(Cl)c(Cl)cc1Cl |
| CAS Datenbank | 636-30-6(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenamine, 2,4,5-trichloro-(636-30-6) |
| EPA chemische Informationen | 2,4,5-Trichloroaniline (636-30-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 0.5% (1 of 199) of reports.DangerH301 (99.5%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 199 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenamine, 2,4,5-trichloro-Status: Active Update: 28-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/134682,4,5-Trichloroaniline: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Benzenamine, 2,4,5-trichloro-: Human health tier I assessment |
| Hazard Classes and Categories | Acute Tox. 3 (99.5%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2811 6.1/PG 2 |
| Zollcode | 29214210 |
| R-Sätze (R) | 23/24/25-33-50/53 |
| Gefahrensymbole | T,N |
| hazard_note | Toxic |
| Sicherheitshinweise (S) | 28-36/37-45-60-61-28A |
| Gefahrenklasse | 6.1Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1STOT RE 2 Oral |
| Verpackungsgruppe | II |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
2,4,5-Trichloroaniline is a chlorinated aniline used in the preparation of azo dyes, insecticides, herbicides as well as in antiviral agents.