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Cas Database |
| Name |
4-Ethyl-4'-iodobiphenyl |
EINECS | N/A |
| CAS No. | 17078-76-1 | Density | 1.47 g/cm3 |
| PSA | 0.00000 | LogP | 4.52060 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C14H13I | Boiling Point | 347.4 °C at 760 mmHg |
| Molecular Weight | 308.162 | Flash Point | 157.5 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Biphenyl,4-ethyl-4'-iodo- (8CI);4-Ethyl- 4'-iodobiphenyl;4-Ethyl-4'-iodo(1,1'-biphenyl);4-Iodo-4'-ethylbiphenyl; |
Article Data | 5 |
4-Ethyl-4'-iodobiphenyl Specification
The 4-Ethyl-4'-iodobiphenyl with the CAS number 17078-76-1 is also called 1,1'-Biphenyl,4-ethyl-4'-iodo-. Its molecular formula is C14H13I. The product category is Biphenyl & Diphenyl ether. This chemical should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 6.17; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.17; (4)ACD/LogD (pH 7.4): 6.17; (5)ACD/BCF (pH 5.5): 28677.98; (6)ACD/BCF (pH 7.4): 28677.98; (7)ACD/KOC (pH 5.5): 53988.08; (8)ACD/KOC (pH 7.4): 53988.08; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.616; (13)Molar Refractivity: 73.3 cm3; (14)Molar Volume: 209.6 cm3; (15)Polarizability: 29.05×10-24cm3; (16)Surface Tension: 41.7 dyne/cm; (17)Enthalpy of Vaporization: 56.83 kJ/mol; (18)Vapour Pressure: 0.000108 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic1ccc(cc1)c2ccc(CC)cc2
(2)InChI: InChI=1/C14H13I/c1-2-11-3-5-12(6-4-11)13-7-9-14(15)10-8-13/h3-10H,2H2,1H3
(3)InChIKey: DUQFCMVIJVWQMX-UHFFFAOYAB
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