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CAS No.: | 1799-84-4 |
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Name: | 2-(Perfluorobutyl)ethyl methacrylate |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C10H9F9O2 |
Molecular Weight: | 332.166 |
Synonyms: | Methacrylicacid, 3,3,4,4,5,5,6,6,6-nonafluorohexyl ester (7CI,8CI);1-Hexanol, 3,3,4,4,5,5,6,6,6-nonafluoro-,methacrylate (8CI);3,3,4,4,5,5,6,6,6-Nonafluorohexyl methacrylate;M 1420; |
EINECS: | 217-287-5 |
Density: | 1.377g/cm3 |
Boiling Point: | 185.9°Cat760mmHg |
Flash Point: | 64.8°C |
Solubility: | Insoluble in water |
Hazard Symbols: | F,Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 26.30000 |
LogP: | 3.96400 |
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The 2-(Perfluorobutyl)ethyl methacrylate with cas registry number 1799-84-4 is also called 3,3,4,4,5,5,6,6,6-Nonafluorohexyl methacrylate, Methacrylic acid, 3,3,4,4,5,5,6,6,6-nonafluorohexyl ester. It has the IUPAC name of 3,3,4,4,5,5,6,6,6-nonafluorohexyl 2-methylprop-2-enoate and systematic name of 3,3,4,4,5,5,6,6,6-nonafluorohexyl 2-methylprop-2-enoate.
Physical properties about this chemical are: (1)ACD/LogP:4.93; (2)# of Rule of 5 Violations:0; (3)ACD/LogD (pH 5.5):4.93; (4)ACD/LogD (pH 7.4):4.93; (5)ACD/BCF (pH 5.5):3300.08; (6)ACD/BCF (pH 7.4):3300.08; (7)ACD/KOC (pH 5.5):11485.63; (8)ACD/KOC (pH 7.4):11485.63; (9)#H bond acceptors:2; (10)#H bond donors:0; (11)#Freely Rotating Bonds:7; (12)Index of Refraction:1.343; (13)Molar Refractivity:51.05 cm3; (14)Molar Volume:241.2 cm3; (15)Surface Tension:19.3 dyne/cm; (16)Density:1.377 g/cm3; (17)Flash Point:64.8 °C; (18)Enthalpy of Vaporization:42.21 kJ/mol; (19)Boiling Point:185.9 °C at 760 mmHg; (20)Vapour Pressure:0.681 mmHg at 25°C.
Preparation: this chemical can be produced by methacrylic acid-anhydride and 2-(heptafluorobutyl)-ethanol with reagent DMAP, Et3N and solvent CH2Cl2, 1,1,2-trichloro-1 ,2,2-trifluoro-ethane. The reaction time is 18 hours at temperature 30 ℃ with 80% yield.
When you are using this chemical, please be cautious about it as the following:
This chemical irritates to eyes, respiratory system and skin. Therefore, wear suitable protective clothing when using it. 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)(CCOC(=O)\C(=C)C)C(F)(F)C(F)(F)C(F)(F)F
(2)InChI: InChI=1/C10H9F9O2/c1-5(2)6(20)21-4-3-7(11,12)8(13,14)9(15,16)10(17,18)19/h1,3-4H2,2H3
(3)InChIKey: TYNRPOFACABVSI-UHFFFAOYAI