Grundinformationen
- Standard-SMILES
C(/C=C/c1ccccc1)=C\c1ccccc1- InChIKey
JFLKFZNIIQFQBS-FNCQTZNRSA-N- Summenformel
- C16H14
- Durchschnittliche Molmasse
- 206,28 g/mol
- Monoisotopische Masse
- 206,10955045
Überblick
1,4-diphenylbutadiene is an alkadiene. It has a role as a fluorochrome.
Namen und Bezeichner
- Bevorzugter Name
- trans,trans-1,4-Diphenyl-1,3-butadiene
- IUPAC
- [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
- Englischer Name
- TRANS,TRANS-1,4-DIPHENYL-1,3-BUTADIENE
- Summenformel
- C16H14
- Molmasse
- 206.28
Namen und Synonyme
trans,trans-1,4-Diphenyl-1,3-butadiene538-81-81,4-Diphenyl-1,3-butadiene, (1E,3E)-DTXSID3022459NSC-316R7P15V6543RefChem:1100205DTXCID102132629-554-7(1E,3E)-1,4-Diphenylbuta-1,3-diene[(1E,3E)-4-phenylbuta-1,3-dienyl]benzenetrans,trans-1,4-Diphenylbuta-1,3-diene
Weitere Namen anzeigen
DPB1,4-DIPHENYL-1,3-BUTADIENE(E,E)-1,4-Diphenyl-1,3-butadiene1,3-Butadiene, 1,4-diphenyl-, (E,E)-ll-trans-diphenylbutadiene(1E,3E)-1,4-Diphenylbuta-1,3-diene98%NSC 316(E,E)-(C6H5CH=CH)2
A,A-BistyrylMFCD00004791NSC 1227021,1'-(1E,3E)-buta-1,3-diene-1,4-diyldibenzene1,4-Diphenylbuta-1,3-diene(4-phenyl-1,3-butadienyl)benzene[(1E,3E)-4-phenylbuta-1,3-dien-1-yl]benzene(1E,3E)-1,4-Diphenyl-1,3-butadiene
Datenbank-Bezeichner
- CAS
538-81-8、886-65-7- PubChem CID
- 641683
- DTXSID
DTXSID3022459- ChEMBL
CHEMBL198810- ChEBI
CHEBI:51583- UNII
- R7P15V6543
- EC Number
- 629-554-7
- Nikkaji
- J1.210.773K、J149.735I、J195.185H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,5
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 198
Physikochemische Eigenschaften
- Schmelzpunkt
- 150 · 150-152 °C(lit.)
- Siedepunkt
- 350 °C · 350 °C(lit.)
- Dichte
- 1.151 g/cm3 · 1.151 g/cm3
- Brechungsindex
- 1.5 · 1.5000 (estimate)
- Flammpunkt
- 350 °C/720mm · 350°C/720mm
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- Crystals or Crystalline Powder
- Farbe
- White to slightly yellow
- Wasserlöslichkeit
- Slightly soluble in water.
- Merck
- 14 · 14,3320
- BRN
- 1905937 · 1905937
- Stabilität
- Stable. Combustible. Incompatible with strong oxidizing agents.
- InChI
- InChI=1S/C16H14/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-14H/b13-7+,14-8+
- InChIKey
- JFLKFZNIIQFQBS-FNCQTZNRSA-N
- SMILES
- C(/C1=CC=CC=C1)=C\C=C\C1=CC=CC=C1
- CAS Datenbank
- 538 · 538-81-8(CAS DataBase Reference)
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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- F
- 10-23
- wgk
- 3
- tsca
- Yes
- hs_code
- 29029000
- risk_code
- 36/37/38
- hazard_code
- Xi
- 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
Anwendungen
Verwendentrans,trans-1,4-Diphenyl-1,3-butadiene reacts with Rieke metal complexes of barium and strontium to prepare metal-diene reagents, which is used for the carbocyclization with dichloroalkanes.
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