HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-(Trifluormethyl)benzylamin
PTF-BYM · p-CF3-benzylamine · 4-(Trifluoromethy · RARECHEM AL BW 0030 · 4-triMethylbenzylaMine · 4-AMINOMETHYLBENZOTRIFLUORIDE · -(Trifluoromethyl)benzylamine · P-(TRIFLUOROMETHYL)BENZYLAMINE
Identifikatoren & physikalische Daten
| CAS No. | 3300-51-4 |
|---|---|
| Summenformel | C8H8F3N |
| Durchschnittliche Molmasse | 175,15 g/mol |
| Monoisotopische Masse | 175,06088392 g/mol |
| SMILES | NCc1ccc(C(F)(F)F)cc1 |
| InChIKey | PRDBLLIPPDOICK-UHFFFAOYSA-N |
| PubChem CID | 76804 |
| ChEMBL | CHEMBL274193 |
| EC No. | 221-971-9 |
| DTXSID | DTXSID60186637 |
| Lokaler Name | 4-(Trifluormethyl)benzylamin |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 136 |
| Schmelzpunkt | 43 °C |
| Siedepunkt | 79-82 °C (15 mmHg) |
| Dichte | 1.229 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.464(lit.) |
| Flammpunkt | 167 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 8.60±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Wichte | 1.229 |
| Farbe | Clear colorless to light yellow |
| BRN | 2640698 |
| InChI | InChI=1S/C8H8F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H,5,12H2 |
| InChIKey | PRDBLLIPPDOICK-UHFFFAOYSA-N |
| SMILES | C1(CN)=CC=C(C(F)(F)F)C=C1 |
| CAS Datenbank | 3300-51-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (18.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1C (18.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2735 |
| Zollcode | 29339900 |
| R-Sätze (R) | 36/37/38-34 |
| Gefahrensymbole | Xi,C |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-36-45-36/37/39 |
| Gefahrenklasse | 8Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
4-(Trifluoromethyl)benzylamine has been used in the synthesis of 3-[(2,4-dioxothiazolidin-5-yl)methyl]benzamide derivatives.