HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Fluorbenzylamin
(3-Fluorophenyl)methanamine · 3-Fluorophenylmethylamine · 3-FLUOROBENZYLAMINE · M-FLUOROBENZYLAMINE · RARECHEM AL BW 0158 · meta-Fluorobenzylamine · Benzylamine, m-fluoro- · 3-Fluorobenzylamine>3-Fluorobenzylamine 97%
Identifikatoren & physikalische Daten
| CAS No. | 100-82-3 |
|---|---|
| Summenformel | C7H8FN |
| Durchschnittliche Molmasse | 125,14 g/mol |
| Monoisotopische Masse | 125,06407748 g/mol |
| SMILES | NCc1cccc(F)c1 |
| InChIKey | QVSVMNXRLWSNGS-UHFFFAOYSA-N |
| PubChem CID | 66853 |
| ChEMBL | CHEMBL12722 |
| EC No. | 202-891-3 |
| DTXSID | DTXSID8059219 |
| Lokaler Name | 3-Fluorbenzylamin |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 85 |
| Schmelzpunkt | 247-248 °C(Solv: N,N-dimethylformamide (68-12-2)) |
| Siedepunkt | 87 °C |
| Dichte | 1.097 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.514(lit.) |
| Flammpunkt | 160 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| pKa (Säurekonstante) | 8.80±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Wichte | 1.097 |
| Farbe | Clear colorless to yellow |
| BRN | 1446928 |
| InChI | 1S/C7H8FN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2 |
| InChIKey | QVSVMNXRLWSNGS-UHFFFAOYSA-N |
| SMILES | NCc1cccc(F)c1 |
| CAS Datenbank | 100-82-3(CAS DataBase Reference) |
| NIST chemische Informationen | M-fluorobenzylamine(100-82-3) |
| EPA chemische Informationen | Benzenemethanamine, 3-fluoro- (100-82-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, 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. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2735 8/PG 2 |
| Zollcode | 29214300 |
| R-Sätze (R) | 34-20/21/22-36/37/38 |
| Gefahrensymbole | C,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 23-26-36/37/39-45-36 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
3-Fluorobenzylamine has been used to study the rate of reaction of benzylamines with 1-Chloro-2,4-dinitrobenzene and toluene-p-sulphonyl chloride. It has also been used in the synthesis of substituted amino-sulfonamide protease inhibitors (PIs) DPC 681 and DPC 684.