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| CAS No.: | 55290-86-3 |
|---|---|
| Name: | 4-Iodo-4'-methylbiphenyl |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C13H11I |
| Molecular Weight: | 294.135 |
| Synonyms: | 1-iodo-4-(4-methylphenyl)benzene |
| Density: | 1.523 g/cm3 |
| Boiling Point: | 335.6 °C at 760 mmHg |
| Flash Point: | 151.9 °C |
| PSA: | 0.00000 |
| LogP: | 4.26660 |
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Specification
The CAS number of the 4-Iodo-4'-methylbiphenyl is 55290-86-3. Its molecular formula is C13H11I. The product category is Biphenyl & Diphenyl ether. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 5.64; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.64; (4)ACD/LogD (pH 7.4): 5.64; (5)ACD/BCF (pH 5.5): 11316.77; (6)ACD/BCF (pH 7.4): 11316.77; (7)ACD/KOC (pH 5.5): 27748.76; (8)ACD/KOC (pH 7.4): 27748.76; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.628; (13)Molar Refractivity: 68.57 cm3; (14)Molar Volume: 193 cm3; (15)Polarizability: 27.18×10-24cm3; (16)Surface Tension: 42.8 dyne/cm; (17)Enthalpy of Vaporization: 55.57 kJ/mol; (18)Vapour Pressure: 0.000231 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic1ccc(cc1)c2ccc(C)cc2
(2)InChI: InChI=1/C13H11I/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h2-9H,1H3
(3)InChIKey: XFPXXEIIWWYHTD-UHFFFAOYAN