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4-Fluorbenzol-1,2-diamin
4-FLUORO-1,2-PHENYLENEDIAMINE · 1,2-DIAMINO-4-FLUOROBENZENE · 4-FLUORO-BENZENE-1,2-DIAMINE · 4-FLUORO-O-PHENYLENEDIAMINE · 4-flouro-1,2-diamino benzene · 4-Diaminofluorobenzene · Fluoroophenylenediamine · uorobenzene-1,2-Diamine
Identifikatoren & physikalische Daten
| CAS No. | 367-31-7 |
|---|---|
| Summenformel | C6H7FN2 |
| Durchschnittliche Molmasse | 126,13 g/mol |
| Monoisotopische Masse | 126,05932644 g/mol |
| SMILES | Nc1ccc(F)cc1N |
| InChIKey | KWEWNOOZQVJONF-UHFFFAOYSA-N |
| PubChem CID | 164584 |
| EC No. | 206-691-7 |
| DTXSID | DTXSID30190145 |
| Lokaler Name | 4-Fluorbenzol-1,2-diamin |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 52 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 97,1 |
| Schmelzpunkt | 94-98 °C |
| Siedepunkt | 266.1±20.0 °C(Predicted) |
| Dichte | 1.284±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly)Slightly soluble in water. |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 4.22±0.10(Predicted) |
| Farbe | deep brown |
| BRN | 2081075 |
| InChI | InChI=1S/C6H7FN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2 |
| InChIKey | KWEWNOOZQVJONF-UHFFFAOYSA-N |
| SMILES | C1(N)=CC=C(F)C=C1N |
| CAS Datenbank | 367-31-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (10.2%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (10.2%) |
| F | 8 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN2811 |
| Zollcode | 29215110 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 6.1Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Fluoro-o-phenylenediamine is used as pharmaceutical intermediate.