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67973-34-6

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Basic Information
CAS No.: 67973-34-6
Name: BIS(4-IODOPHENYL)ACETYLENE
Article Data: 8
Molecular Structure:
Molecular Structure of 67973-34-6 (BIS(4-IODOPHENYL)ACETYLENE)
Formula: C14H8I2
Molecular Weight: 430.027
Synonyms: 4,4'-Diiodotolan;4,4'-Diiodotolane;
Density: 2.091 g/cm3
Melting Point: 243-245 °C
Boiling Point: 415.241 °C at 760 mmHg
Flash Point: 210.308 °C
PSA: 0.00000
LogP: 4.29560
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Specification

The CAS register number of Benzene,1,1'-(1,2-ethynediyl)bis[4-iodo- is 67973-34-6. It also can be called as 4,4'-Diiodotolane and the systematic name about this chemical is 1,1'-ethyne-1,2-diylbis(4-iodobenzene). The molecular formula about this chemical is C14H8I2 and the molecular weight is 430.02.

Physical properties about Benzene,1,1'-(1,2-ethynediyl)bis[4-iodo- are: (1)ACD/LogP: 6.61; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7; (4)ACD/LogD (pH 7.4): 7; (5)ACD/BCF (pH 5.5): 93542; (6)ACD/BCF (pH 7.4): 93542; (7)ACD/KOC (pH 5.5): 125842; (8)ACD/KOC (pH 7.4): 125842; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.759; (11)Molar Refractivity: 84.579 cm3; (12)Molar Volume: 205.695 cm3; (13)Polarizability: 33.53x10-24cm3; (14)Surface Tension: 64.429 dyne/cm; (15)Density: 2.091 g/cm3; (16)Flash Point: 210.308 °C; (17)Enthalpy of Vaporization: 64.236 kJ/mol; (18)Boiling Point: 415.241 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic2ccc(C#Cc1ccc(I)cc1)cc2
(2)InChI: InChI=1/C14H8I2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H
(3)InChIKey: ZPRWJGXMCOOLMP-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C14H8I2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H
(5)Std. InChIKey: ZPRWJGXMCOOLMP-UHFFFAOYSA-N