HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 76447Erstellt: 26. Oktober 2026
2-(Trifluormethyl)benzylamin
2-(Trifluoromethyl)benzenemethanamine · JACS-3048-1-9 · TIMTEC-BB SBB006694 · RARECHEM AL BW 0156 · 2-(Trifluoromethyl)b · O-TRIFLUOROMETHYLBENZYL AMINE · 0-(Trifluoromethyl)benzylamine · 2-(Trifluoromethyl)benzylamlne
https://huagongshe.com/de/chemical/76447
Identifikatoren & physikalische Daten
| CAS No. | 3048-01-9 |
|---|
| Summenformel | C8H8F3N |
|---|
| Durchschnittliche Molmasse | 175,15 g/mol |
|---|
| Monoisotopische Masse | 175,06088392 g/mol |
|---|
| SMILES | NCc1ccccc1C(F)(F)F |
|---|
| InChIKey | ZSKQIFWUTUZAGF-UHFFFAOYSA-N |
|---|
| PubChem CID | 76447 |
|---|
| ChEMBL | CHEMBL13126 |
|---|
| EC No. | 221-258-2 |
|---|
| DTXSID | DTXSID30184549 |
|---|
| Lokaler Name | 2-(Trifluormethyl)benzylamin |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|
| Polarare Oberfläche (TPSA) | 26 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 4 |
|---|
| Frei drehbare Bindungen | 1 |
|---|
| Schwere Atome | 12 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 144 |
|---|
| Siedepunkt | 108-110°C 64mm |
|---|
| Dichte | 1.249 g/mL at 25 °C(lit.) |
|---|
| Brechungsindex | n20/D 1.471(lit.) |
|---|
| Flammpunkt | 157 °F |
|---|
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
|---|
| Aggregatzustand | Liquid |
|---|
| pKa (Säurekonstante) | 8.27±0.10(Predicted) |
|---|
| Wichte | 1.249 |
|---|
| Farbe | Clear colorless to light yellow |
|---|
| BRN | 1103424 |
|---|
| InChI | InChI=1S/C8H8F3N/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4H,5,12H2 |
|---|
| InChIKey | ZSKQIFWUTUZAGF-UHFFFAOYSA-N |
|---|
| SMILES | C1(CN)=CC=CC=C1C(F)(F)F |
|---|
| CAS Datenbank | 3048-01-9(CAS DataBase Reference) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (85.4%): 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 48 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 (85.4%) |
|---|
| F | 10-34 |
|---|
| Wassergefährdungsklasse (WGK) | 2 |
|---|
| UN-Transportnummer | UN 2735 8/PG 3 |
|---|
| Zollcode | 29214990 |
|---|
| R-Sätze (R) | 22-34-52/53 |
|---|
| Gefahrensymbole | C |
|---|
| hazard_note | Corrosive |
|---|
| Sicherheitshinweise (S) | 26-36/37/39-45-61 |
|---|
| Gefahrenklasse | 8 |
|---|
| Verpackungsgruppe | III |
|---|
