Grundinformationen
- Standard-SMILES
Cc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)cc2)c1- InChIKey
OGGKVJMNFFSDEV-UHFFFAOYSA-N- Summenformel
- C38H32N2
- Durchschnittliche Molmasse
- 516,7 g/mol
- Monoisotopische Masse
- 516,25654902
Namen und Bezeichner
- Bevorzugter Name
- [1,1'-Biphenyl]-4,4'-diamine, N4,N4'-bis(3-methylphenyl)-N4,N4'-diphenyl-
- IUPAC
- 3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
- Englischer Name
- N,N'-Bis(3-methylphenyl)-N,N'-bis(phenyl)benzidine
- Summenformel
- C38H32N2
- Molmasse
- 516.67
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
65181-78-4- PubChem CID
- 103315
- DTXSID
DTXSID6070275- EC Number
- 413-810-8、613-752-5
- Nikkaji
- J42.297E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 10,8
- Polarare Oberfläche (TPSA)
- 6,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 40
- Formalladung
- 0
- Komplexität
- 660
Physikochemische Eigenschaften
- Schmelzpunkt
- 169 °C · 169°C
- Siedepunkt
- 680.1 · 680.1±55.0 °C(Predicted)
- Dichte
- 1.37 g/cm3 · 1.37 g/cm3
- Dampfdruck
- 3.356 Pa · 3.356Pa at 25℃
- storage temp.
- Sealed in dry,Room Temperature
- Wasserlöslichkeit
- Insoluble in water
- Aggregatzustand
- Powder
- pka
- -2.4 · -2.40±0.60(Predicted)
- Stabilität
- Stable. Incompatible with strong oxidizing agents.
- InChI
- 1S/C38H32N2/c1-29-11-9-17-37(27-29)39(33-13-5-3-6-14-33)35-23-19-31(20-24-35)32-21-25-36(26-22-32)40(34-15-7-4-8-16-34)38-18-10-12-30(2)28-38/h3-28H,1-2H3
- InChIKey
- OGGKVJMNFFSDEV-UHFFFAOYSA-N
- SMILES
- Cc1cccc(c1)N(c2ccccc2)c3ccc(cc3)-c4ccc(cc4)N(c5ccccc5)c6cccc(C)c6
- LogP
- 4.29 at · 4.29 at 20℃ and pH6.3-6.5
- Oberflächenspannung
- 72.3 mN/m · 72.3mN/m at 242μg/L and 21.9℃
- CAS Datenbank
- 65181 · 65181-78-4(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · [1,1'-Biphenyl]-4,4'-diamine, N,N'-bis(3-methylphenyl)-N,N'-diphenyl- (65181-78-4)
- Farbe
- White powder/crystals
- Absorption
- 352 nmin · λmax352 nmin THF
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Gefahrenhinweise
Hazard Classes and Categories
Aquatic Chronic 2 (100%)
Aquatic Chronic 2 (100%)
Hazardous to the aquatic environment (chronic) - category 2
Aquatic Chronic 2
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- 3077
- hs_code
- 29215900
- risk_code
- 36/37/38-51/53
- hazard_code
- N
- safety_code
- 26-36/37/39-61
- hazard_class
- 9
- packing_group
- III
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Aquatic Chronic 2
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
BeschreibungN,N′-Bis(3-methylphenyl)-N,N′-diphenylbenzidine, commonly abbreviated as TPD,is widely used as hole transport materials in organic electronic devices.
VerwendenOrganic photoconductor. Hole transporter.
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