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Name |
2-Propenoic acid,2-methyl-, 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-hydroxynonyl ester |
EINECS | N/A |
CAS No. | 86994-47-0 | Density | 1.488 g/cm3 |
PSA | 46.53000 | LogP | 4.59550 |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H11F13O3 | Boiling Point | 291.3 °C at 760 mmHg |
Molecular Weight | 462.2 | Flash Point | 130 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | F | |
Synonyms |
DAIKIN M-1633;3-PERFLUOROHEXYL-2-HYDROXYPROPYL METHACRYLATE;3-PERFLUOROHEXYL-2-HYDROXYPROPYLMETHACRYLATE TECH;1H,1H,2H,3H,3H-Perfluoro(2-hydroxynon-1-yl) methacrylate;2-Hydroxy-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-1-yl 2-methylprop-2-enoate |
The 2-Propenoic acid,2-methyl-, 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-hydroxynonyl ester is an organic compound with the formula C13H11F13O3. The systematic name of this chemical is 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-hydroxynonyl 2-methylprop-2-enoate. With the CAS registry number 86994-47-0, it is also named as 3-Perfluorohexyl-2-hydroxypropyl methacrylate.
Physical properties about 2-Propenoic acid,2-methyl-, 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-hydroxynonyl ester are: (1)ACD/LogP: 5.61; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.61; (4)ACD/LogD (pH 7.4): 5.61; (5)ACD/BCF (pH 5.5): 10851.54; (6)ACD/BCF (pH 7.4): 10851.51; (7)ACD/KOC (pH 5.5): 26927.37; (8)ACD/KOC (pH 7.4): 26927.28; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.351; (14)Molar Refractivity: 67.03 cm3; (15)Molar Volume: 310.4 cm3; (16)Polarizability: 26.57×10-24cm3; (17)Surface Tension: 21.3 dyne/cm; (18)Density: 1.488 g/cm3; (19)Flash Point: 130 °C; (20)Enthalpy of Vaporization: 61.58 kJ/mol; (21)Boiling Point: 291.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000212 mmHg at 25°C.
Preparation of 2-Propenoic acid,2-methyl-, 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-hydroxynonyl ester: this chemical can be prepared by 2-methyl-acrylic acid and F-hexyl-3-epoxy-1,2 propane. This reaction will need reagents KOH, hydroquinone and solvent neat (no solvent). The reaction time is 30 min with reaction temperature of 96 °C. The yield is about 54.75%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are 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: FC(F)(CC(O)COC(=O)\C(=C)C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
(2)InChI: InChI=1/C13H11F13O3/c1-5(2)7(28)29-4-6(27)3-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h6,27H,1,3-4H2,2H3
(3)InChIKey: QJNMSQFOKUQZBA-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C13H11F13O3/c1-5(2)7(28)29-4-6(27)3-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h6,27H,1,3-4H2,2H3
(5)Std. InChIKey: QJNMSQFOKUQZBA-UHFFFAOYSA-N