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| CAS No.: | 626-62-0 |
|---|---|
| Name: | IODOCYCLOHEXANE |
| Article Data: | 122 |
| Molecular Structure: | |
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| Formula: | C6H11I |
| Molecular Weight: | 210.058 |
| Synonyms: | Cyclohexyliodide;Iodocyclohexane;NSC 6075; |
| EINECS: | 210-957-8 |
| Density: | 1.62 g/cm3 |
| Melting Point: | 52℃ |
| Boiling Point: | 190.3 °C at 760 mmHg |
| Flash Point: | 71.7 °C |
| Appearance: | clear slight brown liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
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Specification
The Cyclohexane, iodo-, with the CAS registry number of 626-62-0, is also known as Cyclohexyl iodide. Its EINECS registry number is 210-957-8. This chemical's molecular formula is C6H11I and molecular weight is 210.06. What's more, its IUPAC name is Iodocyclohexane. In addition, it should be stored in dry, cool, airtight place. And avoid contact with oxidant, light, otherwise it would decompose. Besides, it should be stored at 0-6 °C.
Physical properties about Cyclohexane, iodo- are: (1)ACD/LogP: 3.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.56; (4)ACD/LogD (pH 7.4): 3.56; (5)ACD/BCF (pH 5.5): 297.09; (6)ACD/BCF (pH 7.4): 297.09; (7)ACD/KOC (pH 5.5): 2049.76; (8)ACD/KOC (pH 7.4): 2049.76; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 40.68 cm3; (15)Molar Volume: 129.4 cm3; (16)Polarizability: 16.12×10-24 cm3; (17)Surface Tension: 34.7 dyne/cm; (18)Density: 1.62 g/cm3; (19)Flash Point: 71.7 °C; (20)Enthalpy of Vaporization: 40.91 kJ/mol; (21)Boiling Point: 190.3 °C at 760 mmHg; (22)Vapour Pressure: 0.754 mmHg at 25 °C.
Preparation: this chemical is prepared by Chlorocyclohexane. The reaction needs reagent 57 % aq. HI. The reaction time is 2.5 hours with reaction temperature of 105 °C. The yield is about 85 %.
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Uses: it is used to produce other chemicals. For example, it is used to produce bicyclohexyl at ambient temperature. This reaction needs reagents CuCl2 and Mn. Meanwhile, it needs solvent H2O. Other condition of this reaction is reaction time of 16 hours. The yield is about 81 %.
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When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: IC1CCCCC1
(2) InChI: InChI=1/C6H11I/c7-6-4-2-1-3-5-6/h6H,1-5H2
(3) InChIKey: FUCOMWZKWIEKRK-UHFFFAOYAE