1,1,4,4-Tetraphenylbuta-1,3-dien
Benzene, 1,1',1'',1'''-(1,3-butadiene-1,4-diylidene)tetrakis-
Grundinformationen
- CAS
1450-63-1- Standard-SMILES
C(C=C(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1- InChIKey
KLCLIOISYBHYDZ-UHFFFAOYSA-N- Summenformel
- C28H22
- Durchschnittliche Molmasse
- 358,5 g/mol
- Monoisotopische Masse
- 358,1721507
Namen und Bezeichner
- Bevorzugter Name
- Benzene, 1,1',1'',1'''-(1,3-butadiene-1,4-diylidene)tetrakis-
- IUPAC
- 1,4,4-triphenylbuta-1,3-dienylbenzene
- Lokaler Name
- 1,1,4,4-Tetraphenylbuta-1,3-dien
- Englischer Name
- 1,1,4,4-Tetraphenyl-1,3-butadiene
- Summenformel
- C28H22
- Molmasse
- 358.47
Namen und Synonyme
1,1,4,4-Tetraphenyl-1,3-butadiene1450-63-1TetraphenylbutadieneBenzene, 1,1',1'',1'''-(1,3-butadiene-1,4-diylidene)tetrakis-1,1,4,4-Tetraphenylbutadiene1,1,4,4-Tetraphenylbuta-1,3-diene1,3-Butadiene, 1,1,4,4-tetraphenyl-alpha-TPBbeta-TPBEINECS 215-914-73J9DS4FWS7BRN 1914229
Weitere Namen anzeigen
TPBTPB (dopant)Tetraphenylboron anion1,1,4,4-tetraphenyl-3-butadiene
1,1',1'',1'''-(1,3-Butadiene-1,4-diylidene)tetrabenzeneNSC-125724-05-00-02816 (Beilstein Handbook Reference)DTXSID4061701NSC 125721,1',1'',1'''-(1,3-Butadiene-1,4-diylidene)tetrakis[benzene]1,1',1'',1'''-(1,3-Butadiene-1,4-diylidene)tetrakis(benzene)RefChem:562156
Datenbank-Bezeichner
- CAS
1450-63-1- PubChem CID
- 74060
- DTXSID
DTXSID4061701- UNII
- 3J9DS4FWS7
- EC Number
- 215-914-7
- Nikkaji
- J117.150J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 8,6
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 28
- Formalladung
- 0
- Komplexität
- 412
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Other Aromatic Compounds
SpringerMaterials PropertiesAngular frequency
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionOff-white fibers; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 207 · 207-209 °C(lit.)
- Siedepunkt
- 425.89 °C · 425.89°C (rough estimate)
- Dichte
- 1.1108 · 1.1108 (estimate)
- Brechungsindex
- 1.878 · 1.8780 (estimate)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Soluble in ethanol, benzene, chloroform, tolune and acetic acid.
- Aggregatzustand
- Needle-Like Crystals
- Farbe
- White to slightly yellow
- BRN
- 1914229 · 1914229
- InChI
- 1S/C28H22/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H
- InChIKey
- KLCLIOISYBHYDZ-UHFFFAOYSA-N
- SMILES
- c1ccc(cc1)\C(=C\C=C(/c2ccccc2)c3ccccc3)c4ccccc4
- CAS Datenbank
- 1450 · 1450-63-1(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · Benzene, 1,1',1'',1'''-(1,3-butadiene-1,4-diylidene)tetrakis- (1450-63-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, 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 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazards SummaryAn irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29029000
- RTECS-Nr.
- CY9040630
- risk_code
- 36/37/38
- Toxizität
- mouse,LD50,intraperitoneal,> 10gm/kg (10000mg/kg),European Journal of Toxicology and Environmental Hygiene. Vol. 9, Pg. 99, 1976.
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
UsesSynthetic Polymer MALDI Matrix Compounds
General Manufacturing InformationBenzene, 1,1',1'',1'''-(1,3-butadiene-1,4-diylidene)tetrakis-: ACTIVE
Anwendungen
Verwenden1,1,4,4-Tetraphenyl-1,3-butadiene is used as a wavelength shifter. It is also used as an electroluminescent dye, which glows blue with an electroluminescent dye.
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