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| CAS No.: | 19053-14-6 |
|---|---|
| Name: | 4,4''-Diiodo-p-terphenyl |
| Article Data: | 17 |
| Molecular Structure: | |
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| Formula: | C18H12I2 |
| Molecular Weight: | 482.102 |
| Synonyms: | p-Terphenyl,4,4''-diiodo- (7CI,8CI);4,4''-Diiodo-1,1':4',1''-terphenyl;4,4''-Diiodo-p-terphenyl;4,4''-Diodo-p-terphenyl; |
| Density: | 1.825 g/cm3 |
| Melting Point: | 328 °C |
| Boiling Point: | 500.6 °C at 760 mmHg |
| Flash Point: | 261.2 °C |
| Appearance: | White crystal powder |
| PSA: | 0.00000 |
| LogP: | 6.22980 |
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Specification
The 4,4''-Diiodo-p-terphenyl, with the cas registry number 19053-14-6, has the systematic name of 4,4''-diiodo-1,1':4',1''-terphenyl. It is a kind of white crystal powder, and the molecular formula of the chemical is C18H12I2.
The characteristics of this chemical are as followings: (1)ACD/LogP: 8.04; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.03; (4)ACD/LogD (pH 7.4): 8.03; (5)ACD/BCF (pH 5.5): 752025.63; (6)ACD/BCF (pH 7.4): 752025.63; (7)ACD/KOC (pH 5.5): 559470.25; (8)ACD/KOC (pH 7.4): 559470.25; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.692; (14)Molar Refractivity: 101.25 cm3; (15)Molar Volume: 264.1 cm3; (16)Polarizability: 40.13×10-24cm3; (17)Surface Tension: 50.8 dyne/cm; (18)Density: 1.825 g/cm3; (19)Flash Point: 261.2 °C; (20)Enthalpy of Vaporization: 74 kJ/mol; (21)Boiling Point: 500.6 °C at 760 mmHg; (22)Vapour Pressure: 1.16E-09 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Ic3ccc(c2ccc(c1ccc(I)cc1)cc2)cc3
(2)InChI: InChI=1/C18H12I2/c19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16/h1-12H
(3)InChIKey: QGMMWGLDOBFHTL-UHFFFAOYAC