Grundinformationen
- Standard-SMILES
FC(F)(F)c1ccc(P(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)cc1- InChIKey
PXYCJKZSCDFXLR-UHFFFAOYSA-N- Summenformel
- C21H12F9P
- Durchschnittliche Molmasse
- 466,3 g/mol
- Monoisotopische Masse
- 466,05329084
Namen und Bezeichner
- Bevorzugter Name
- Tris(4-trifluoromethylphenyl)phosphine
- IUPAC
- tris[4-(trifluoromethyl)phenyl]phosphane
- Englischer Name
- TRIS(4-TRIFLUOROMETHYLPHENYL)PHOSPHINE
- Summenformel
- C21H12F9P
- Molmasse
- 466.28
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
13406-29-6- PubChem CID
- 139448
- DTXSID
DTXSID20928398- EC Number
- 625-726-0
- Nikkaji
- J125.029I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 7,3
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 31
- Formalladung
- 0
- Komplexität
- 478
Physikochemische Eigenschaften
- Schmelzpunkt
- 70 · 70-75 °C
- Siedepunkt
- 382.8 · 382.8±42.0 °C(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- Chloroform (Sparingly), Methanol (Slightly)
- Aggregatzustand
- Liquid
- Farbe
- Clear
- Wasserlöslichkeit
- Insoluble in water.
- InChI
- InChI=1S/C21H12F9P/c22-19(23,24)13-1-7-16(8-2-13)31(17-9-3-14(4-10-17)20(25,26)27)18-11-5-15(6-12-18)21(28,29)30/h1-12H
- InChIKey
- PXYCJKZSCDFXLR-UHFFFAOYSA-N
- SMILES
- P(C1=CC=C(C(F)(F)F)C=C1)(C1=CC=C(C(F)(F)F)C=C1)C1=CC=C(C(F)(F)F)C=C1
- CAS Datenbank
- 13406 · 13406-29-6(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H413 (88.9%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 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.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- 3
- tsca
- No
- hs_code
- 29319090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Aquatic Chronic 4Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
VerwendenTris[4-(trifluoromethyl)phenyl]phosphine is a raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals.
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