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3-(Trifluormethyl)benzylamin
[3-(TRIFLUOROMETHYL)PHENYL]METHANAMINE · RARECHEM AL BW 0022 · TIMTEC-BB SBB006691 · 3-(Trifluoromethyl)b · M-TRIFLUOROMETHYL BENZYLAMINE · 3-(TRIFLUOROMETHYL)BENZYLAMINE · 3-(Trifluoromethyl)benzylamine98% · 3-(Trifluoromethyl)benzylamine 98%
Identifikatoren & physikalische Daten
| CAS No. | 2740-83-2 |
|---|---|
| Summenformel | C8H8F3N |
| Durchschnittliche Molmasse | 175,15 g/mol |
| Monoisotopische Masse | 175,06088392 g/mol |
| SMILES | NCc1cccc(C(F)(F)F)c1 |
| InChIKey | YKNZTUQUXUXTLE-UHFFFAOYSA-N |
| PubChem CID | 75962 |
| ChEMBL | CHEMBL13024 |
| EC No. | 220-367-2 |
| DTXSID | DTXSID00181828 |
| Lokaler Name | 3-(Trifluormethyl)benzylamin |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 144 |
| Schmelzpunkt | 176.5-178.5 °C |
| Siedepunkt | 93-97 °C (22 mmHg) |
| Dichte | 1.222 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.463(lit.) |
| Flammpunkt | 160 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| pKa (Säurekonstante) | 8.69±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Wichte | 1.222 |
| Farbe | Clear colorless to yellow |
| Löslichkeit | insoluble |
| BRN | 1102465 |
| InChI | InChI=1S/C8H8F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H,5,12H2 |
| InChIKey | YKNZTUQUXUXTLE-UHFFFAOYSA-N |
| SMILES | C1(CN)=CC=CC(C(F)(F)F)=C1 |
| CAS Datenbank | 2740-83-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (76.5%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 51 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (76.5%) |
| Wassergefährdungsklasse (WGK) | 2 |
| UN-Transportnummer | UN 2735 8/PG 3 |
| Zollcode | 29214980 |
| R-Sätze (R) | 22-34 |
| Gefahrensymbole | C |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
3-(Trifluoromethyl)benzylamine has been used in the preparation of 6-substituted purines.