Name: ETHYL PENTAFLUOROPROPIONYLACETATE
SKU: 663-35-4

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Basic Information

Molecular Structure:
CAS No.:	663-35-4
Name:	ETHYL PENTAFLUOROPROPIONYLACETATE
Article Data:	5

Formula:	C₇H₇F₅O₃
Molecular Weight:	234.123
Synonyms:	Ethyl4,4,5,5,5-pentafluoro-3-oxovalerate;Ethyl pentafluoropropionylacetate;Ethyl4,4,5,5,5-pentafluoro-3-oxopentanoate;Valericacid, 4,4,5,5,5-pentafluoro-3-oxo-, ethyl ester (6CI,8CI);4,4,5,5,5-Pentafluoro-3-oxopentanoic acid ethyl ester;4,4,5,5,5-Pentafluoro-3-oxovaleric acid ethyl ester;Ethyl3-oxo-4,4,5,5,5-pentafluoropentanoate;
Density:	1.361 g/cm³
Boiling Point:	155 °C at 760 mmHg
Flash Point:	46.9 °C
Hazard Symbols:	F
Risk Codes:	10
Safety:	16
Transport Information:	UN 3272 3/PG 3
PSA:	43.37000
LogP:	1.70630

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Specification

The CAS register number of Pentanoic acid,4,4,5,5,5-pentafluoro-3-oxo-, ethyl ester is 663-35-4. It also can be called as Valericacid, 4,4,5,5,5-pentafluoro-3-oxo-, ethyl ester (6CI,8CI) and the systematic name about this chemical is ethyl 4,4,5,5,5-pentafluoro-3-oxopentanoate. The molecular formula about this chemical is C₇H₇F₅O₃ and the molecular weight is 234.12. It belongs to the following product categories which include C₆ to C₇; Carbonyl Compounds; Esters and so on.

Physical properties about Pentanoic acid,4,4,5,5,5-pentafluoro-3-oxo-, ethyl ester are: (1)ACD/LogP: 4.55; (2)ACD/LogD (pH 5.5): 4.55; (3)ACD/LogD (pH 7.4): 4.36; (4)ACD/BCF (pH 5.5): 1689.35; (5)ACD/BCF (pH 7.4): 1096.43; (6)ACD/KOC (pH 5.5): 7098.12; (7)ACD/KOC (pH 7.4): 4606.85; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 43.37 Å²; (11)Index of Refraction: 1.35; (12)Molar Refractivity: 37.03 cm³; (13)Molar Volume: 172 cm³; (14)Polarizability: 14.68x10^-24cm³; (15)Surface Tension: 23.3 dyne/cm; (16)Density: 1.361 g/cm³; (17)Flash Point: 46.9 °C; (18)Enthalpy of Vaporization: 39.18 kJ/mol; (19)Boiling Point: 155 °C at 760 mmHg; (20)Vapour Pressure: 3.09 mmHg at 25 °C.

Uses of Pentanoic acid,4,4,5,5,5-pentafluoro-3-oxo-, ethyl ester: it can be used to produce 4,4,5,5,5-pentafluoropentan-1,3-diol. This reaction will need reagent of sodium borohydride and solvent of ethanol. The reaction time is 4 hours with ambient temperature. The yield is about 86%.

When you are using this chemical, please be cautious about it as the following:
This chemical is flammable. When you are using it, keep away from sources of ignition.

You can still convert the following datas into molecular structure:
SMILES: O=C(C(F)(F)C(F)(F)F)CC(=O)OCC
InChI: InChI=1/C7H7F5O3/c1-2-15-5(14)3-4(13)6(8,9)7(10,11)12/h2-3H2,1H3
InChIKey: MWGSZQXKIYWSFS-UHFFFAOYAC
Std. InChI: InChI=1S/C7H7F5O3/c1-2-15-5(14)3-4(13)6(8,9)7(10,11)12/h2-3H2,1H3
Std. InChIKey: MWGSZQXKIYWSFS-UHFFFAOYSA-N