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| CAS No.: | 2043-55-2 |
|---|---|
| Name: | 1H,1H,2H,2H-Perfluorohexyl iodide |
| Article Data: | 9 |
| Molecular Structure: | |
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|
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| Formula: | C6H4F9I |
| Molecular Weight: | 373.988 |
| Synonyms: | 1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodohexane;1-Perfluorobutyl-2-iodoethane;1H,1H,2H,2H-Perfluorohexyl iodide;2-(Perfluorobutyl)ethyliodide;2-Perfluorobutyl-1-iodoethane;3,3,4,4,5,5,6,6,6-Nonafluorohexyl iodide; |
| EINECS: | 218-055-6 |
| Density: | 1.912 g/cm3 |
| Melting Point: | -25°C |
| Boiling Point: | 150.492 °C at 760 mmHg |
| Flash Point: | 58.517 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26 |
| PSA: | 0.00000 |
| LogP: | 4.27970 |
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1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane
- 2043-55-2
3,3,4,4,5,5,6,6,6-nonafluorohexyliodide
| Conditions | Yield |
|---|---|
| at 205℃; for 24h; Addition; | 50% |
| at 200℃; Yield given; | |
| With Vazo64 | |
| With 2,2'-azobis(isobutyronitrile) In isopropyl alcohol at 60 - 70℃; under 3375.34 Torr; for 3.5h; Solvent; Temperature; Pressure; Large scale; Green chemistry; | 85.3 kg |
- 38436-14-5
1H,1H,2H,2H-perfluoro-n-hexyl bromide
- 2043-55-2
3,3,4,4,5,5,6,6,6-nonafluorohexyliodide
| Conditions | Yield |
|---|---|
| With sodium iodide In acetone Reflux; Inert atmosphere; |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; formic acid; oxygen; copper; zinc In water at 80℃; for 2h; Product distribution; various solvents, water concentration; | 100% |
| With water In N,N-dimethyl-formamide at 125 - 130℃; under 9000.9 Torr; for 30h; Pressure; Solvent; Green chemistry; | 85% |
| Yield given. Multistep reaction; | |
| With potassium hydroxide In 1-methyl-pyrrolidin-2-one; water; dimethyl sulfoxide at 140℃; under 7125.71 Torr; for 10h; Concentration; Solvent; Temperature; |
| Conditions | Yield |
|---|---|
| at 85 - 105℃; for 44h; | 99% |
| Heating; |
- 2043-55-2
3,3,4,4,5,5,6,6,6-nonafluorohexyliodide
- 490024-64-1
1-heptyl-1,2,4-triazole
| Conditions | Yield |
|---|---|
| at 85 - 105℃; for 44h; | 99% |
- 2043-55-2
3,3,4,4,5,5,6,6,6-nonafluorohexyliodide
- 119327-17-2
(2-mercaptophenyl)diphenylphosphine
- 1269920-66-2
{2-[(1H,1H,2H,2H-perfluorohexyl)sulfanyl]phenyl}diphenylphosphine
| Conditions | Yield |
|---|---|
| Stage #1: (2-mercaptophenyl)diphenylphosphine With sodium hydride In tetrahydrofuran; mineral oil at 0 - 25℃; Inert atmosphere; Stage #2: 3,3,4,4,5,5,6,6,6-nonafluorohexyliodide In tetrahydrofuran; mineral oil at 25℃; for 2h; Inert atmosphere; | 99% |
- 2043-55-2
3,3,4,4,5,5,6,6,6-nonafluorohexyliodide
- 111371-18-7
1‐decyl‐1,2,4‐triazole
| Conditions | Yield |
|---|---|
| at 85 - 105℃; for 44h; | 98% |
| Conditions | Yield |
|---|---|
| at 20℃; for 48h; | 97% |
| In acetonitrile at 35℃; for 36h; Schlenk technique; Inert atmosphere; |
- 2043-55-2
3,3,4,4,5,5,6,6,6-nonafluorohexyliodide
- 333-20-0
potassium thioacyanate
- 26650-08-8
3,3,4,4,5,5,6,6,6-nonafluorohexyl thiocyanate
| Conditions | Yield |
|---|---|
| With Aliquat 336 In water at 90℃; for 4h; | 96% |
| In ethanol for 5h; Reflux; |
- 2043-55-2
3,3,4,4,5,5,6,6,6-nonafluorohexyliodide
- 603-35-0
triphenylphosphine
- 94190-72-4
(3,3,4,4,5,5,6,6,6-Nonafluoro-hexyl)-triphenyl-phosphonium; iodide
| Conditions | Yield |
|---|---|
| In neat (no solvent) at 90 - 100℃; | 95% |
| at 95℃; | 85% |
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Specification
The 1H,1H,2H,2H-Perfluorohexyl iodide, with CAS registry number 2043-55-2, belongs to the following product categories: (1)Fluorous Chemistry; (2)Fluorous Compounds; (3)Synthetic Organic Chemistry. Its systematic name and its IUPAC name are the same, which is 1,1,1,2,2,3,3,4,4-nonafluoro-6-iodohexane. This chemical should be stored at the temperature of 2-8°C.
Physical properties of 1H,1H,2H,2H-Perfluorohexyl iodide: (1)ACD/LogP: 4.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.73; (4)ACD/LogD (pH 7.4): 4.73; (5)ACD/BCF (pH 5.5): 2304.04; (6)ACD/BCF (pH 7.4): 2304.04; (7)ACD/KOC (pH 5.5): 8881.11; (8)ACD/KOC (pH 7.4): 8881.11; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.369; (14)Molar Refractivity: 44.15 cm3; (15)Molar Volume: 195.6 cm3; (16)Polarizability: 17.5×10-24cm3; (17)Surface Tension: 19.4 dyne/cm; (18)Enthalpy of Vaporization: 37.14 kJ/mol; (19)Vapour Pressure: 4.88 mmHg at 25°C.
Uses of 1H,1H,2H,2H-Perfluorohexyl iodide: it can be used to produce 6-azido-1,1,1,2,2,3,3,4,4-nonafluoro-hexane. This reaction will need reagents 25% NaN3, 5% trioctylmethylammonium chloride and solvent H2O. The reaction temperature is 90 - 100 ℃. The yield is about 90%.
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When you are using this chemical, please be cautious about it as the following:
The Trimesic acid irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)F
(2)InChI: InChI=1/C6H4F9I/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h1-2H2
(3)InChIKey: CXHFIVFPHDGZIS-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C6H4F9I/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h1-2H2
(5)Std. InChIKey: CXHFIVFPHDGZIS-UHFFFAOYSA-N