ChemicalBook--->CAS DataBase List--->538-81-8

538-81-8

538-81-8 Structure

538-81-8 Structure
IdentificationMore
[Name]

TRANS,TRANS-1,4-DIPHENYL-1,3-BUTADIENE
[CAS]

538-81-8
[Synonyms]

1,4-DIPHENYL-1,3-BUTADIENE
BETA,BETA'-BISTYRYL
DPB
(E)-1,4-DIPHENYLBUTA-1,3-DIENE
TRANS,TRANS-1,4-DIPHENYL-1,3-BUTADIENE
TRANS,TRANS-1,4-DIPHENYLBUTA-1,3-DIENE
T,T-1,4-DIPHENYL-1,3-BUTADIENE
(1E,3E)-1,4-Diphenylbuta-1,3-diene
(E,E)-(C6H5CH=CH)2
(E,E)-1,4-Diphenyl-1,3-butadiene
(E,E)-1,4-Diphenylbutadiene
[(1E,3E)-4-Phenyl-1,3-butadienyl]benzene
1,3-Butadiene, 1,4-diphenyl-, (E,E)-
1,3-Butadiene, 1,4-diphenyl-, trans,trans-
1,3-Butadiene,1,4-diphenyl-,(E,E)-
1,4-Diphenyl-1,3-butadiene, trans,trans-
1,4-Diphenyl-trans,trans-buta-1,3-diene
1,4-Diphenyl-trans-1,trans-3-butadiene
all-trans-Diphenylbutadiene
Benzene, 1,1'-(1,3-butadiene-1,4-diyl)bis-, (E,E)-
[EINECS(EC#)]

212-952-6
[Molecular Formula]

C16H14
[MDL Number]

MFCD00004791
[Molecular Weight]

206.28
[MOL File]

538-81-8.mol
Chemical PropertiesBack Directory
[Appearance]

light yellow crystalline powder
[Melting point ]

150-152 °C(lit.)
[Boiling point ]

350 °C(lit.)
[density ]

1.151 g/cm3
[refractive index ]

1.5000 (estimate)
[Fp ]

350°C/720mm
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Crystals or Crystalline Powder
[color ]

White to slightly yellow
[Stability:]

Stable. Combustible. Incompatible with strong oxidizing agents.
[Water Solubility ]

Slightly soluble in water.
[Merck ]

14,3320
[BRN ]

1905937
[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 DataBase Reference]

538-81-8(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[F ]

10-23
[TSCA ]

Yes
[HS Code ]

29029000
Hazard InformationBack Directory
[Chemical Properties]

light yellow crystalline powder
[Uses]

trans,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.
[Definition]

ChEBI: 1,4-diphenylbutadiene is an alkadiene. It has a role as a fluorochrome.
[Purification Methods]

Its solution in pet ether (b 60-70o) is chromatographed on an alumina-Celite column (4:1), and the column is washed with the same solvent. The main zone is cut out, eluted with ethanol and transferred to pet ether, which is then dried and evaporated [Pinckard et al. J Am Chem Soc 70 1938 1948]. Recrystallise it from hexane. [Beilstein 5 H 676, 9 IV 2319.]
Spectrum DetailBack Directory
[Spectrum Detail]

TRANS,TRANS-1,4-DIPHENYL-1,3-BUTADIENE(538-81-8)1HNMR
TRANS,TRANS-1,4-DIPHENYL-1,3-BUTADIENE(538-81-8)FT-IR
TRANS,TRANS-1,4-DIPHENYL-1,3-BUTADIENE(538-81-8)IR
TRANS,TRANS-1,4-DIPHENYL-1,3-BUTADIENE(538-81-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

trans,trans-1,4-Diphenyl-1,3-butadiene, 99%(538-81-8)
[Alfa Aesar]

trans,trans-1,4-Diphenyl-1,3-butadiene, 98+%(538-81-8)
[Sigma Aldrich]

538-81-8(sigmaaldrich)
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