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3-Brom-1,1,1-trifluoraceton
1-BROMO-3,3,3-TRIFLUOROACETONE · 3-Bromo-1,1,1-Trifluroacetone · TIMTEC-BB SBB006605 · 1-Bromo-3,3,3-trifL · bromotrifluoroacetone · 3-BROMO-1,1,1-TRIFLUOROPANONE · 3-BROMO-1,1,1-TRIFLUOROACETONE · 1,1,1-Trifluoro-3-bromoacetone
Identifikatoren & physikalische Daten
| CAS No. | 431-35-6 |
|---|---|
| Summenformel | C3H2BrF3O |
| Durchschnittliche Molmasse | 190,95 g/mol |
| Monoisotopische Masse | 189,92411 g/mol |
| SMILES | O=C(CBr)C(F)(F)F |
| InChIKey | ONZQYZKCUHFORE-UHFFFAOYSA-N |
| PubChem CID | 79008 |
| EC No. | 207-071-9 |
| DTXSID | DTXSID30195690 |
| Lokaler Name | 3-Brom-1,1,1-trifluoraceton |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 97 |
| Schmelzpunkt | <-80°C |
| Siedepunkt | 87 °C/743 mmHg (lit.) |
| Dichte | 1.839 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.376(lit.) |
| Flammpunkt | 41 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to yellow |
| Wichte | 1.839 |
| Löslichkeit | Immiscible with water. |
| BRN | 1703387 |
| InChI | 1S/C3H2BrF3O/c4-1-2(8)3(5,6)7/h1H2 |
| InChIKey | ONZQYZKCUHFORE-UHFFFAOYSA-N |
| SMILES | FC(F)(F)C(=O)CBr |
| CAS Datenbank | 431-35-6(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Bromo-3,3,3-trifluoroacetone(431-35-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 53 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 06-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30030 |
| Hazard Classes and Categories | Flam. Liq. 2 (100%)Skin Corr. 1B (100%) |
| F | 19 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2924 3/PG 2 |
| Zollcode | 29141900 |
| R-Sätze (R) | 11-34-37 |
| Gefahrensymbole | F,C |
| hazard_note | Corrosive/Flammable/Lachrymatory |
| Sicherheitshinweise (S) | 16-26-36/37/39-45 |
| Gefahrenklasse | 3Flam. Liq. 2Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
3-Bromo-1,1,1-trifluoroacetone may be used in the synthesis of:3-nonylthio-1,1,1-trifluoropropan-2-onecyclic tetrapeptides containing trifluoromethyl and pentafluoroethyl ketone as zinc binding functional groupperfluoroalkylated trans-allylic alcohols