HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
m-Fluorbenzamid
M-FLUOROBENZAMIDE · 3-Fluorobenzamide · Benzamide, 3-fluoro- · 3-Fluorobenzamide>Benzamide, m-fluoro- · Inter-fluorobenzamide · 3-Fluorobenzamide,99% · 3-FLUOROBENZAMIDE 99% · ForMaMide between fluorobenzene
Identifikatoren & physikalische Daten
| CAS No. | 455-37-8 |
|---|---|
| Summenformel | C7H6FNO |
| Durchschnittliche Molmasse | 139,13 g/mol |
| Monoisotopische Masse | 139,04334203 g/mol |
| SMILES | NC(=O)c1cccc(F)c1 |
| InChIKey | YPIGHNIIXYSPKF-UHFFFAOYSA-N |
| PubChem CID | 68000 |
| ChEMBL | CHEMBL125759 |
| EC No. | 207-247-5 |
| DTXSID | DTXSID20196535 |
| Lokaler Name | m-Fluorbenzamid |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 138 |
| LogP (Verteilungskoeffizient) | 0.91 |
| Schmelzpunkt | 129-132 °C(lit.) |
| Siedepunkt | 238.4±23.0 °C(Predicted) |
| Dichte | 1.2099 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Fine Crystalline Powder |
| pKa (Säurekonstante) | 15.46±0.50(Predicted) |
| Farbe | White |
| BRN | 1859858 |
| InChI | 1S/C7H6FNO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10) |
| InChIKey | YPIGHNIIXYSPKF-UHFFFAOYSA-N |
| SMILES | NC(=O)c1cccc(F)c1 |
| CAS Datenbank | 455-37-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2924297099 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
3-Fluorobenzamide has been used in the synthesis of N-(3-fluorobenzoyl)-N′,N′′-bis(4-methylphenyl)phosphoric triamide.