HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Bromo-3,5-difluorobenzene
3,5-DIFLUOROBROMOBENZENE · 1-Brom-3,5-difluorbenzol · 1,3-Difluoro-5-bromobenzene · DM1Impurity22 · uorobromobenzene · 5-difluorobenzene · 1-Bromo-3,5-difluoro · 240419 JLL 79099-07-3
Identifikatoren & physikalische Daten
| CAS No. | 461-96-1 |
|---|---|
| Summenformel | C6H3BrF2 |
| Durchschnittliche Molmasse | 192,99 g/mol |
| Monoisotopische Masse | 191,93861864 g/mol |
| SMILES | Fc1cc(F)cc(Br)c1 |
| InChIKey | JHLKSIOJYMGSMB-UHFFFAOYSA-N |
| PubChem CID | 136313 |
| EC No. | 416-710-2 |
| DTXSID | DTXSID90196724 |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 87,1 |
| Stoffklassen | Other Classes -> Halogenated Monoaromatics |
| Physical Description | Liquid[Alfa Aesar MSDS] |
| Schmelzpunkt | -27 °C |
| Siedepunkt | 140 °C (lit.) |
| Dichte | 1.676 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.499(lit.) |
| Flammpunkt | 112 °F |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Löslichkeit | 0.238g/l0.238 g/L (20 ºC) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to light yellow |
| Wichte | 1.686 |
| pH | 6.6 (0.238g/l, H2O, 20℃) |
| BRN | 1931520 |
| InChI | 1S/C6H3BrF2/c7-4-1-5(8)3-6(9)2-4/h1-3H |
| InChIKey | JHLKSIOJYMGSMB-UHFFFAOYSA-N |
| SMILES | Fc1cc(F)cc(Br)c1 |
| CAS Datenbank | 461-96-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226: Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P303+P361+P353, P319, P321, P330, P332+P317, P333+P317, P362+P364, P370+P378, P391, P403+P235, and P501 (click each P-code to see the statement)H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
|---|---|
| Regulatorische Informationen | Status: Active Update: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/14051 |
| Gefahrenübersicht | An irritantMay cause skin sensitizationHarmful by ingestion[Alfa Aesar MSDS] Search for (461-96-1[EC/RN Number]) AND (sensitizer OR sensitization OR allergic OR dermatitis): no results[PubMed] |
| Hazard Classes and Categories | Flam. Liq. 3 (100%)Flammable liquid - category 3 |
| Wassergefährdungsklasse (WGK) | 2 |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 29039990 |
| R-Sätze (R) | 10-22-38-43-48/22-50/53-36/37/38 |
| Gefahrensymbole | Xn,N,F,Xi |
| hazard_note | Flammable |
| Sicherheitshinweise (S) | 24-36/37-60-61-36-26-16 |
| Gefahrenklasse | 3Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Flam. Liq. 3Skin Irrit. 2Skin Sens. 1STOT RE 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
1-Bromo-3,5-difluorobenzene was used in the synthesis of 4-bromo-2,6-difluorobenzoic acid.