CAS No.886-65-7,1,4-DIPHENYLBUTADIYNE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	886-65-7
Name:	1,4-DIPHENYLBUTADIYNE
Article Data:	433

Formula:	C₁₆H₁₄
Molecular Weight:	206.287
Synonyms:	1,3-Butadiene,1,4-diphenyl- (8CI);1,4-Diphenyl-1,3-butadiene;1,4-Diphenylbutadiene;1,4-Diphenylerythrene;Bistyryl;DPB (fluor);Distyryl;NSC 122702;a,w-Diphenylbutadiene;
EINECS:	212-952-6
Density:	1.035 g/cm³
Melting Point:	86-87 °C(lit.)
Boiling Point:	367 °C at 760 mmHg
Flash Point:	190 °C
Solubility:	1.230 mg/L at 25 °C in water
Appearance:	white to pale yellow crystals or needles
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	0.00000
LogP:	3.08980

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- China (Mainland)(14)
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Specification

This chemical is called Benzene, 1,1'-(1,3-butadiene-1,4-diyl)bis-, and its systematic name is 1,1'-(1E,3E)-buta-1,3-diene-1,4-diyldibenzene. With the CAS registry number of 886-65-7, its appearance is white to pale yellow crystals or needles. This chemical is soluble in alcohol, slightly soluble in ether.

Other characteristics of the Benzene, 1,1'-(1,3-butadiene-1,4-diyl)bis- can be summarised as followings: (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.

Production method of this chemical: The Benzene, 1,1'-(1,3-butadiene-1,4-diyl)bis- could be obtained by the reactant of (trans-2-bromo-vinyl)-benzene. This reaction needs the reagent of LiCrH₄*2LiCl*2THF, and the solvent of tetrahydrofuran. The yield is 93 %. In addition, this reaction should be taken for 12 hours at the temperature of 25 °C.

Uses of this chemical: The 1,4-diphenyl-butane could be obtained by the reactant of Benzene, 1,1'-(1,3-butadiene-1,4-diyl)bis-. This reaction needs the reagents of Cp₂Ti(C₂Ph₂), H₂, and the solvent of benzene. The yield is 93.9 %. In addition, this reaction should be taken for 15 minutes at the ambient temperature.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when you use it. In case of contacting 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\c1ccccc1)=C/c2ccccc2
2.InChI: InChI=1/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.InChIKey: JFLKFZNIIQFQBS-FNCQTZNRBI