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| CAS No.: | 4282-44-4 |
|---|---|
| Name: | 1-IODOUNDECANE |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C11H23I |
| Molecular Weight: | 282.208 |
| Synonyms: | 1-Iodoundecane;Undecyl iodide; |
| Density: | 1.232 g/cm3 |
| Melting Point: | 2°C |
| Boiling Point: | 282 °C at 760 mmHg |
| Flash Point: | 106.6 °C |
| Appearance: | clear colourless liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 0.00000 |
| LogP: | 4.95220 |
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Specification
The Undecane, 1-iodo-, with the CAS registry number 4282-44-4, is also known as n-Undecyl iodide. It belongs to the product categories of Iodine Compounds; Alkyl; Halogenated Hydrocarbons; Organic Building Blocks. This chemical's molecular formula is C11H23I and molecular weight is 282.2. What's more, both its IUPAC name and systematic name are the same which is called 1-Iodoundecane. It is clear colourless liquid.
Physical properties about Undecane, 1-iodo- are: (1)ACD/LogP: 6.81; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.81; (4)ACD/LogD (pH 7.4): 6.81; (5)ACD/BCF (pH 5.5): 88281.06; (6)ACD/BCF (pH 7.4): 88281.06; (7)ACD/KOC (pH 5.5): 120734.52; (8)ACD/KOC (pH 7.4): 120734.52; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.488; (14)Molar Refractivity: 65.97 cm3; (15)Molar Volume: 228.9 cm3; (16)Surface Tension: 31.8 dyne/cm; (17)Density: 1.232 g/cm3; (18)Flash Point: 106.6 °C; (19)Enthalpy of Vaporization: 49.99 kJ/mol; (20)Boiling Point: 282 °C at 760 mmHg; (21)Vapour Pressure: 0.00589 mmHg at 25 °C.
Preparation of Undecane, 1-iodo-: this chemical can be prepared by Undecan-1-ol. This reaction needs reagents NaI, CH3SO3H, solvent CH2Cl2 and other condition of heating for 8 hours. The yield is 71 %.
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Uses of Undecane, 1-iodo-: it is used to produce other chemicals. For example, it is used to produce Pentadec-3-yn-1-ol. The reaction occurs with reagent n-BuLi and solvents Hexamethylphosphoric acid triamide, Tetrahydrofuran, Hexane. The yield is 75 %.
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When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: ICCCCCCCCCCC
(2) InChI: InChI=1/C11H23I/c1-2-3-4-5-6-7-8-9-10-11-12/h2-11H2,1H3
(3) InChIKey: FKUQOQPBCHJHAP-UHFFFAOYAO