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2-(Perfluorobutyl)ethyl methacrylate

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Name

2-(Perfluorobutyl)ethyl methacrylate

EINECS 217-287-5
CAS No. 1799-84-4 Density 1.377g/cm3
PSA 26.30000 LogP 3.96400
Solubility Insoluble in water Melting Point N/A
Formula C10H9F9O2 Boiling Point 185.9°Cat760mmHg
Molecular Weight 332.166 Flash Point 64.8°C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1799-84-4 (2-(Perfluorobutyl)ethyl methacrylate) Hazard Symbols FlammableF,IrritantXi
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;

Article Data 3

2-(Perfluorobutyl)ethyl methacrylate Specification

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

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