Grundinformationen
- Standard-SMILES
Nc1ccc(-c2ccc(N)cc2C(F)(F)F)c(C(F)(F)F)c1- InChIKey
NVKGJHAQGWCWDI-UHFFFAOYSA-N- Summenformel
- C14H10F6N2
- Durchschnittliche Molmasse
- 320,23 g/mol
- Monoisotopische Masse
- 320,0748173
Namen und Bezeichner
- Bevorzugter Name
- (1,1'-Biphenyl)-4,4'-diamine, 2,2'-bis(trifluoromethyl)-
- IUPAC
- 4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)aniline
- Englischer Name
- 2,2'-Bis(trifluoromethyl)benzidine
- Summenformel
- C14H10F6N2
- Molmasse
- 320.23
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
341-58-2- PubChem CID
- 629349
- DTXSID
DTXSID70348007- ChEMBL
CHEMBL1377207- EC Number
- 671-105-2
- Nikkaji
- J624.943D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4
- Polarare Oberfläche (TPSA)
- 52 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 345
Physikochemische Eigenschaften
- Schmelzpunkt
- 183 °C · 183 °C
- Siedepunkt
- 376.9 · 376.9±42.0 °C(Predicted)
- Dichte
- 1.415 · 1.415±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- Löslichkeit
- soluble in Methanol
- Aggregatzustand
- powder to crystal
- pka
- 3.23 · 3.23±0.10(Predicted)
- Farbe
- White to Light yellow to Light orange
- InChI
- InChI=1S/C14H10F6N2/c15-13(16,17)11-5-7(21)1-3-9(11)10-4-2-8(22)6-12(10)14(18,19)20/h1-6H,21-22H2
- InChIKey
- NVKGJHAQGWCWDI-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=C(N)C=C2C(F)(F)F)=CC=C(N)C=C1C(F)(F)F
- CAS Datenbank
- 341 · 341-58-2(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (95.2%): Toxic if swallowed [Danger Acute toxicity, oral];H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 4 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
- ridadr
- 2811
- hs_code
- 29215900
- risk_code
- 22-45-50/53-36-25-36/37/38
- hazard_code
- T,Xi
- hazard_note
- Toxic
- safety_code
- 22-36/37/39-45-26-37
- hazard_class
- IRRITANT-HARMFUL
Chemie und Industrie
Anwendungen
Beschreibung2,2'-Bis(trifluoromethyl)benzidine (TFMB) is a fluorinated benzidine derivative with two trifluoromethyl substituents at the 2- and 2'-positions. 2,2'-Bis(trifluoromethyl)benzidine (TFMB) is a rigid and aromatic polyimide used in the synthesis of metal-organic frameworks (MOFs) and covalent organic frameworks (COFs) of high specific surface area.TFMB is also synthesised as UV-resistant and colourless polyimide thin films for optoelectronic applications. TFMB is also used to synthesise UV resistant and colourless polyimide films for optoelectronic applications. The two fluoromethyl groups have a strong electron-withdrawal effect, which reduces the electron dispersion in the π-orbitals of the fully conjugated polymer backbone. This effect results in a much higher transparency of the polyimide film compared to polyimide films containing methyl substituents. This polyimide can be used for the encapsulation of solar cells with MOFs cluster light diffusers.
Verwenden2,2'-Bis(trifluoromethyl)benzidine is used for producing a high strength flexible transparent polyimide material.
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