Grundinformationen
- Standard-SMILES
FC(F)(F)CCCBr- InChIKey
DBCAQXHNJOFNGC-UHFFFAOYSA-N- Summenformel
- C4H6BrF3
- Durchschnittliche Molmasse
- 190,99 g/mol
- Monoisotopische Masse
- 189,96049695
Namen und Bezeichner
- Bevorzugter Name
- 4-Bromo-1,1,1-trifluorobutane
- IUPAC
- 4-bromo-1,1,1-trifluorobutane
- Englischer Name
- 1-BROMO-4,4,4-TRIFLUOROBUTANE
- Summenformel
- C4H6BrF3
- Molmasse
- 190.99
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
406-81-5- PubChem CID
- 521006
- DTXSID
DTXSID50334529- EC Number
- 670-279-7
- Nikkaji
- J1.596.983K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 58,8
Physikochemische Eigenschaften
- Siedepunkt
- 103 °C · 103 °C
- Dichte
- 1.555 · 1.555
- Brechungsindex
- 1.382 · 1.382
- Flammpunkt
- 103 · 103-105°C
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- liquid
- Farbe
- Clear
- Wasserlöslichkeit
- Not miscible in water.
- BRN
- 1736058 · 1736058
- InChI
- InChI=1S/C4H6BrF3/c5-3-1-2-4(6,7)8/h1-3H2
- InChIKey
- DBCAQXHNJOFNGC-UHFFFAOYSA-N
- SMILES
- C(F)(F)(F)CCCBr
- CAS Datenbank
- 406 · 406-81-5(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H226 (25%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- WGK 3
- ridadr
- 1993
- hs_code
- 2903793090
- risk_code
- 11-36/37/38-36-25
- hazard_code
- Xi,T
- safety_code
- 16-26-36-45
- hazard_class
- IRRITANT
- packing_group
- II
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2
Chemie und Industrie
Anwendungen
Beschreibung1-Bromo-4,4,4-trifluorobutane is a chemical compound that is used in the treatment of tumors. It is effective as a radiosensitizer and can be used to treat cancerous tumors. It also has been shown to bind to copper, which may lead to potential uses in polymer synthesis. The binding affinity of 1-bromo-4,4,4-trifluorobutane with copper is powerful and forms stable complexes with the metal. This chemical can be synthesized by reacting 1-bromoethanol with 3 equivalents of TFAA and one equivalent of CuCl2 at room temperature in THF.
Verwenden1-Bromo-4,4,4-trifluorobutane is used as pharmaceutical intermediate.
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