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72452-47-2

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Basic Information
CAS No.: 72452-47-2
Name: 1,3-Bis(3,4-dicyanophenoxy)benzene
Article Data: 12
Molecular Structure:
Molecular Structure of 72452-47-2 (1,3-Bis(3,4-dicyanophenoxy)benzene)
Formula: C22H10N4O2
Molecular Weight: 362.347
Synonyms: 1,3-Bis(3,4-dicyanophenoxy)benzene;
Density: 1.39 g/cm3
Melting Point: 185 °C
Boiling Point: 614.9 °C at 760 mmHg
Flash Point: 237 °C
PSA: 113.62000
LogP: 4.75792
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Specification

The 1,3-Bis(3,4-dicyanophenoxy)benzene is an organic compound with the formula C22H10N4O2. The IUPAC name of this chemical is 4,4'-[benzene-1,3-diylbis(oxy)]dibenzene-1,2-dicarbonitrile. With the CAS registry number 72452-47-2, it is also named as 1,2-benzenedicarbonitrile, 4,4'-[1,3-phenylenebis(oxy)]bis-.

Physical properties about 1,3-Bis(3,4-dicyanophenoxy)benzene are: (1)ACD/LogP: 5.34 ; (2)#H bond acceptors: 6; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 113.62 Å2; (5)Index of Refraction: 1.677; (6)Molar Refractivity: 97.91 cm3; (7)Molar Volume: 259.7 cm3; (8)Polarizability: 38.81×10-24cm3; (9)Surface Tension: 81.5 dyne/cm; (10)Density: 1.39 g/cm3; (11)Flash Point: 237 °C; (12)Enthalpy of Vaporization: 91.23 kJ/mol; (13)Boiling Point: 614.9 °C at 760 mmHg; (14)Vapour Pressure: 4.71E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc3cc(Oc2cccc(Oc1ccc(C#N)c(C#N)c1)c2)ccc3C#N
(2)InChI: InChI=1/C22H10N4O2/c23-11-15-4-6-21(8-17(15)13-25)27-19-2-1-3-20(10-19)28-22-7-5-16(12-24)18(9-22)14-26/h1-10H
(3)InChIKey: SSIIVKRGBWPLNS-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C22H10N4O2/c23-11-15-4-6-21(8-17(15)13-25)27-19-2-1-3-20(10-19)28-22-7-5-16(12-24)18(9-22)14-26/h1-10H
(5)Std. InChIKey: SSIIVKRGBWPLNS-UHFFFAOYSA-N