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| CAS No.: | 679-87-8 |
|---|---|
| Name: | 2,2,3,3-Tetrafluoropropyl iodide |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C3H3 F4 I |
| Molecular Weight: | 241.955 |
| Synonyms: | 1,1,2,2-Tetrafluoro-3-iodopropane;1-Iodo-2,2,3,3-tetrafluoropropane;2,2,3,3-Tetrafluoro-1-iodopropane;2,2,3,3-Tetrafluoropropyl iodide;3-Iodo-1,1,2,2-tetrafluoropropane; |
| Density: | 2.117 |
| Boiling Point: | 99.3 °C at 760 mmHg |
| Flash Point: | 29.4 °C |
| Hazard Symbols: |
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| Risk Codes: | R36/37/38 |
| Safety: | S26;S36 |
| PSA: | 0.00000 |
| LogP: | 2.32180 |
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Specification
The 2,2,3,3-Tetrafluoropropyl iodide with cas registry number of 679-87-8, belongs to the following product categories: (1)Alkyl; (2)Halogenated Hydrocarbons; (3)Organic Building Blocks. It has the systematic name of 1,1,2,2-tetrafluoro-3-iodopropane.
Physical properties about this chemical are: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.13; (4)ACD/LogD (pH 7.4): 2.13; (5)ACD/BCF (pH 5.5): 24.37; (6)ACD/BCF (pH 7.4): 24.37; (7)ACD/KOC (pH 5.5): 342.27; (8)ACD/KOC (pH 7.4): 342.27; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.409; (14)Molar Refractivity: 29.49 cm3; (15)Molar Volume: 119 cm3; (16)Polarizability: 11.69×10-24cm3; (17)Surface Tension: 21.3 dyne/cm; (18)Enthalpy of Vaporization: 32.47 kJ/mol; (19)Vapour Pressure: 44.2 mmHg at 25°C.
Preparation: this chemical can be prepared by 3-benzenesulfonyloxy-1,1,2,2-tetrafluoro-propane. This reaction will need reagent KI and solvent dimethylformamide. The yield is about 77%.
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Uses of p-Chloropropiophenone: it can be used to produce 4-(2,2,3,3-tetrafluoropropoxy)nitrobenzene. This reaction will need reagent K2CO3 and solvent dimethylformamide. The reaction time is 17 hours with reaction temperature of 100 ℃. The yield is about 79%.
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When you are using this chemical, please be cautious about it as the following:
The 2,2,3,3-Tetrafluoropropyl iodide 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)CI;
(2)InChI: InChI=1/C3H3F4I/c4-2(5)3(6,7)1-8/h2H,1H2;
(3)InChIKey: VOUMUNAZCCDSHT-UHFFFAOYAJ;
(4)Std. InChI: InChI=1S/C3H3F4I/c4-2(5)3(6,7)1-8/h2H,1H2;
(5)Std. InChIKey: VOUMUNAZCCDSHT-UHFFFAOYSA-N