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2-Chlor-4-trifluormethylanilin
3-CHLORO-4-AMINOBENZOTRIFLUORIDE · BUTTPARK 29\06-52 · TIMTEC-BB SBB003594 · 3-Amino-4-Chlorotrifluorotolue · 4-AMINO-3-CHLOROBENZOTRIFLUORIDE · 4-AMINO-5-CHLORO-BENZOTRIFLUORIDE · 2-CHLORO-4-(TRIFLUOROMETHYL)ANILINE · 4-Amino-3-chlorobenzotrifluoride97%
Identifikatoren & physikalische Daten
| CAS No. | 39885-50-2 |
|---|---|
| Summenformel | C7H5ClF3N |
| Durchschnittliche Molmasse | 195,57 g/mol |
| Monoisotopische Masse | 195,0062615 g/mol |
| SMILES | Nc1ccc(C(F)(F)F)cc1Cl |
| InChIKey | MBBUTABXEITVNY-UHFFFAOYSA-N |
| PubChem CID | 162001 |
| ChEBI | CHEBI:194659 |
| EC No. | 254-674-8 |
| DTXSID | DTXSID30192922 |
| Lokaler Name | 2-Chlor-4-trifluormethylanilin |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 159 |
| Siedepunkt | 214-218 °C(lit.) |
| Dichte | 1.4160 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.5030(lit.) |
| Flammpunkt | 218 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 0.82±0.10(Predicted) |
| Farbe | Colorless to Light yellow |
| BRN | 4179703 |
| InChI | InChI=1S/C7H5ClF3N/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H,12H2 |
| InChIKey | MBBUTABXEITVNY-UHFFFAOYSA-N |
| SMILES | C1(N)=CC=C(C(F)(F)F)C=C1Cl |
| CAS Datenbank | 39885-50-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (85.4%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, 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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (85.4%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN2810 |
| Zollcode | 29039990 |
| R-Sätze (R) | 36/37/38-20/21/22-50-24-20/22 |
| Gefahrensymbole | Xi,Xn,N,T |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-36/37/39-23-61-45 |
| Gefahrenklasse | 6.1Acute Tox. 3 DermalAcute Tox. 3 OralAcute Tox. 4 InhalationAquatic Acute 1Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
4-Amino-3-chlorobenzotrifluoride serves as a starting material for the synthesis of 5-chloro-N-(2-chloro-4-(trifluoromethyl)phenyl)-2-hydroxybenzamide [3].