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| CAS No.: | 2548-47-2 |
|---|---|
| Name: | 2,3-DIPHENYL-1,3-BUTADIENE |
| Molecular Structure: | |
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| Formula: | C16H14 |
| Molecular Weight: | 206.287 |
| Synonyms: | 1,3-Butadiene,2,3-diphenyl- (7CI,8CI);2,3-Diphenyl-1,3-butadiene;2,3-Diphenylbutadiene; |
| Density: | 0.987±0.06 g/cm3(Predicted) |
| Melting Point: | 40-45 °C |
| Boiling Point: | 150-170 °C(Press: 10 Torr) |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 0.00000 |
| LogP: | 4.41320 |
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Specification
The Benzene,1,1'-[1,2-bis(methylene)-1,2-ethanediyl]bis- is an organic compound with the formula C16H14. The systematic name of this chemical is 1,1'-buta-1,3-diene-2,3-diyldibenzene. With the CAS registry number 2548-47-2, it is also named as 2,3-diphenylbuta-1,3-diene. The product's categories are Acyclic; Alkenes; Organic Building Blocks.
Physical properties about Benzene,1,1'-[1,2-bis(methylene)-1,2-ethanediyl]bis- are: (1)ACD/LogP: 5.44; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.44; (4)ACD/LogD (pH 7.4): 5.44; (5)ACD/BCF (pH 5.5): 7963.76; (6)ACD/BCF (pH 7.4): 7963.76; (7)ACD/KOC (pH 5.5): 21577.99; (8)ACD/KOC (pH 7.4): 21577.99; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.58; (11)Molar Refractivity: 69.58 cm3; (12)Molar Volume: 208.9 cm3; (13)Polarizability: 27.58×10-24cm3; (14)Surface Tension: 36.3 dyne/cm; (15)Density: 0.987 g/cm3; (16)Flash Point: 127.4 °C; (17)Enthalpy of Vaporization: 50.43 kJ/mol; (18)Boiling Point: 286.2 °C at 760 mmHg; (19)Vapour Pressure: 0.0046 mmHg at 25°C.
Preparation of Benzene,1,1'-[1,2-bis(methylene)-1,2-ethanediyl]bis-: this chemical can be prepared by 3,4-diphenyl-2,5-dihydro-thiophene-1,1-dioxide. This reaction will need solvent neat (no solvent). The reaction temperature is 180 °C. The yield is about 90%.
![Benzene,1,1'-[1,2-bis(methylene)-1,2-ethanediyl]bis- can be prepared by 3,4-diphenyl-2,5-dihydro-thiophene-1,1-dioxide](/UserFilesUpload/Preparation of Benzene,1,1'-[1,2-bis(methylene)-1,2-ethanediyl]bis-.gif)
Uses of Benzene,1,1'-[1,2-bis(methylene)-1,2-ethanediyl]bis-: it can be used to produce 4,5-diphenyl-3,6-dihydro-1,2-dithiin. It will need reagents (Me3Si)2S, BCl3, o-benzoyl-o'-thiobenzoyl-biphenyl. The yield is about 85%.
![Benzene,1,1'-[1,2-bis(methylene)-1,2-ethanediyl]bis- can be used to produce 4,5-diphenyl-3,6-dihydro-1,2-dithiin](/UserFilesUpload/Uses of Benzene,1,1'-[1,2-bis(methylene)-1,2-ethanediyl]bis-.gif)
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: C=C(\C(=C)c1ccccc1)c2ccccc2
(2)InChI: InChI=1/C16H14/c1-13(15-9-5-3-6-10-15)14(2)16-11-7-4-8-12-16/h3-12H,1-2H2
(3)InChIKey: LGLDSEPDYUTBNZ-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C16H14/c1-13(15-9-5-3-6-10-15)14(2)16-11-7-4-8-12-16/h3-12H,1-2H2
(5)Std. InChIKey: LGLDSEPDYUTBNZ-UHFFFAOYSA-N