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Benzene,1,1'-(1E,3E)-1,3-butadiene-1,4-diylbis-

  • Name Benzene,1,1'-(1E,3E)-1,3-butadiene-1,4-diylbis-
  • EINECS212-952-6
  • CAS No. 538-81-8
  • Density1.035 g/cm3
  • PSA0.00000
  • LogP4.41320
  • SolubilitySlightly soluble in water.
  • Melting Point150-152 °C(lit.)
  • FormulaC16H14
  • Boiling Point367 °C at 760 mmHg
  • Molecular Weight206.287
  • Flash Point190 °C
  • Transport InformationN/A
  • AppearanceLight yellow crystalline powder
  • Safety26-36
  • Risk Codes36/37/38
  • Molecular Structure
    Molecular Structure of 538-81-8 (TRANS,TRANS-1,4-DIPHENYL-1,3-BUTADIENE)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data369

Benzene,1,1'-(1E,3E)-1,3-butadiene-1,4-diylbis- Synthetic route

Conditions
ConditionsYield
With tetrahydrofuran; hydrogen cation Rate constant;
With protonated methyl cyanide Rate constant;
125341-42-6

C16H36N(1+)*C16H14(1-)

538-81-8

C16H14

Conditions
ConditionsYield
With tetrahydrofuran; hexafluorophosphoric acid Rate constant;

Benzene,1,1'-(1E,3E)-1,3-butadiene-1,4-diylbis- Specification

The Benzene,1,1'-(1E,3E)-1,3-butadiene-1,4-diylbis-, with the CAS registry number 538-81-8, is also known as 1,1'-(1E,3E)-Buta-1,3-diene-1,4-diyldibenzene. Its EINECS number is 212-952-6. This chemical's molecular formula is C16H14 and molecular weight is 206.28. What's more, its IUPAC name is [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene.

Physical properties of Benzene,1,1'-(1E,3E)-1,3-butadiene-1,4-diylbis- are: (1)ACD/LogP: 4.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.63; (4)ACD/LogD (pH 7.4): 4.63; (5)ACD/BCF (pH 5.5): 1935.6; (6)ACD/BCF (pH 7.4): 1935.6; (7)ACD/KOC (pH 5.5): 7839.71; (8)ACD/KOC (pH 7.4): 7839.71; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 72.97 cm3; (15)Molar Volume: 199.2 cm3; (16)Polarizability: 28.92×10-24cm3; (17)Surface Tension: 42.4 dyne/cm; (18)Density: 1.035 g/cm3; (19)Flash Point: 190 °C; (20)Enthalpy of Vaporization: 58.94 kJ/mol; (21)Boiling Point: 367 °C at 760 mmHg; (22)Vapour Pressure: 2.97E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by ethynylbenzene at the temperature of -20-25°C. This reaction will need reagent NaH-MgBr2-CuCl and solvent tetrahydrofuran. The yield is about 60%.

chemicalBenzene,1,1'-(1E,3E)-1,3-butadiene-1,4-diylbis- can be prepared by ethynylbenzene at the temperature of -20-25°C

Uses of Benzene,1,1'-(1E,3E)-1,3-butadiene-1,4-diylbis-: it can be used to produce 1,4-diphenyl-1-butene by heating. It will need solvent ethanol. The yield is about 50%.

Benzene,1,1'-(1E,3E)-1,3-butadiene-1,4-diylbis- can be used to produce 1,4-diphenyl-1-butene by heating

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: C(\C=C\c1ccccc1)=C/c2ccccc2
(2)Std. 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+
(3)Std. InChIKey: JFLKFZNIIQFQBS-FNCQTZNRSA-N

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