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| CAS No.: | 4292-19-7 |
|---|---|
| Name: | 1-Iodododecane |
| Article Data: | 33 |
| Molecular Structure: | |
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| Formula: | C12H25I |
| Molecular Weight: | 296.235 |
| Synonyms: | 1-Dodecyliodide;1-Iodododecane;Dodecyl iodide;Lauryl iodide;NSC 9285;n-Dodecyliodide; |
| EINECS: | 224-293-1 |
| Density: | 1.206 g/cm3 |
| Melting Point: | -3 °C(lit.) |
| Boiling Point: | 298.8 °C at 760 mmHg |
| Flash Point: | 113.5 °C |
| Solubility: | Insoluble in water |
| Appearance: | Clear colorless liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36-24/25 |
| PSA: | 0.00000 |
| LogP: | 5.34230 |
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Specification
The 1-Iodododecane, with the cas registry number 4292-19-7 and EINECS registry number 224-293-1, is also called dodecane, 1-iodo-. It belongs to the product categories of Aromatic Hydrocarbons (substituted) & Derivatives and Iodine Compounds. And the molecular formula of the chemical is C12H25I.
The characteristics of this chemical are as followings: (1)ACD/LogP: 7.34; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.34; (4)ACD/LogD (pH 7.4): 7.34; (5)ACD/BCF (pH 5.5): 223714.06; (6)ACD/BCF (pH 7.4): 223714.06; (7)ACD/KOC (pH 5.5): 234901.53; (8)ACD/KOC (pH 7.4): 234901.53; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 70.61 cm3; (15)Molar Volume: 245.4 cm3; (16)Polarizability: 27.99×10-24cm3; (17)Surface Tension: 31.9 dyne/cm; (18)Density: 1.206 g/cm3; (19)Flash Point: 113.5 °C; (20)Enthalpy of Vaporization: 51.71 kJ/mol; (21)Boiling Point: 298.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00221 mmHg at 25°C.
Preparation of 1-Iodododecane: This chemical can be prepared by dodecan-1-ol and 1-chloro-1-chlorocarbonyloxy-ethane. The reaction will need reagent NaI, and the yield is about 81%.
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Uses of 1-Iodododecane: It can react with 2-methyl-pyridine to produce 1-dodecyl-2-methyl-pyridinium iodide. This reaction will need reagent acetic acid. The reaction time is 2 hours with heating, and the yield is about 95%.
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You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing; Avoid contact with skin and eyes; In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ICCCCCCCCCCCC
(2)InChI: InChI=1/C12H25I/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3
(3)InChIKey: GCDPERPXPREHJF-UHFFFAOYAV