Benzene,1,1'-(1,2-ethynediyl)bis[4-phenoxy- supplier

Name
BIS(4-PHENOXYPHENYL)ACETYLENE
EINECS
CAS No. 77384-56-6
Article Data4
CAS DataBase
Density 1.22 g/cm³
Solubility
Melting Point 167-169 °C
Formula C₂₆H₁₈O₂
Boiling Point 501.6 °C at 760 mmHg
Molecular Weight 362.428
Flash Point 185.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Bis(4-phenoxyphenyl)acetylene;1,2-Bis(4-phenyloxyphenyl)ethyne;4,4'-Diphenoxydiphenylacetylene;
PSA 18.46000
LogP 6.67100

Benzene,1,1'-(1,2-ethynediyl)bis[4-phenoxy- Specification

The Benzene,1,1'-(1,2-ethynediyl)bis[4-phenoxy- is an organic compound with the formula C₂₆H₁₈O₂. The IUPAC name of this chemical is 1-phenoxy-4-[2-(4-phenoxyphenyl)ethynyl]benzene. With the CAS registry number 77384-56-6, it is also named as Bis(4-phenoxyphenyl)acetylene.

Physical properties about Benzene,1,1'-(1,2-ethynediyl)bis[4-phenoxy- are: (1)ACD/LogP: 8.76; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.76; (4)ACD/LogD (pH 7.4): 8.76; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1394131.75; (8)ACD/KOC (pH 7.4): 1394131.75; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 18.46 Å²; (12)Index of Refraction: 1.676; (13)Molar Refractivity: 111.62 cm³; (14)Molar Volume: 296.6 cm³; (15)Polarizability: 44.25×10^-24cm³; (16)Surface Tension: 58.3 dyne/cm; (17)Density: 1.22 g/cm³; (18)Flash Point: 185.4 °C; (19)Enthalpy of Vaporization: 74.13 kJ/mol; (20)Boiling Point: 501.6 °C at 760 mmHg; (21)Vapour Pressure: 1.06E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccccc1)c4ccc(C#Cc3ccc(Oc2ccccc2)cc3)cc4
(2)InChI: InChI=1/C26H18O2/c1-3-7-23(8-4-1)27-25-17-13-21(14-18-25)11-12-22-15-19-26(20-16-22)28-24-9-5-2-6-10-24/h1-10,13-20H
(3)InChIKey: ZQKSNWIXFGRPEJ-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C26H18O2/c1-3-7-23(8-4-1)27-25-17-13-21(14-18-25)11-12-22-15-19-26(20-16-22)28-24-9-5-2-6-10-24/h1-10,13-20H
(5)Std. InChIKey: ZQKSNWIXFGRPEJ-UHFFFAOYSA-N

Product Name

BIS(4-PHENOXYPHENYL)ACETYLENE

Benzene,1,1'-(1,2-ethynediyl)bis[4-phenoxy- Specification

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