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2-Bromo-4,6-Difluoroaniline
2-Bromo-4,6-difL · AKOS BBS-00003657 · 2-Bromo-4,6-difluoro · 2-BroMo-4,6-difluoraniline · 2-BroMo-4.6-2-fluoroaniline · 4,6-Difluoro-2-bromoaniline · 2-BROMO-4,6-DIFLUOROANILINE · 2,4-DIFLUORO-6-BROMOANILINE
Identifikatoren & physikalische Daten
| CAS No. | 444-14-4 |
|---|---|
| Summenformel | C6H4BrF2N |
| Durchschnittliche Molmasse | 208 g/mol |
| Monoisotopische Masse | 206,94951767 g/mol |
| SMILES | Nc1c(F)cc(F)cc1Br |
| InChIKey | WUJKFVGKLTWVSQ-UHFFFAOYSA-N |
| PubChem CID | 136285 |
| EC No. | 429-430-0 |
| DTXSID | DTXSID00196154 |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 122 |
| Schmelzpunkt | 41-42 °C (lit.) |
| Siedepunkt | 208.0±35.0 °C(Predicted) |
| Dichte | 1.6953 (rough estimate) |
| Brechungsindex | 1.5320 (estimate) |
| Flammpunkt | 177 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 1.20±0.10(Predicted) |
| Farbe | White to Green to Brown |
| Löslichkeit | Insoluble in water. |
| BRN | 2718139 |
| InChI | InChI=1S/C6H4BrF2N/c7-4-1-3(8)2-5(9)6(4)10/h1-2H,10H2 |
| InChIKey | WUJKFVGKLTWVSQ-UHFFFAOYSA-N |
| SMILES | C1(N)=C(F)C=C(F)C=C1Br |
| CAS Datenbank | 444-14-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)H302+H312+H332 (86.4%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatorische Informationen | Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/8473 |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Acute toxicity - category 4Acute Tox. 4 * |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1325 4.1/PG 2 |
| Zollcode | 29214200 |
| R-Sätze (R) | 20/21/22-36/37/38-51/53-22 |
| Gefahrensymbole | Xn,Xi,N |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-36/37/39-61-25 |
| Gefahrenklasse | 9Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 2Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Bromo-4,6-difluoroaniline is used in chemical synthesis.