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Methyl 4,4,4-trifluorobutyrate

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Name

Methyl 4,4,4-trifluorobutyrate

EINECS 219-122-2
CAS No. 2365-82-4 Density 1.192 g/cm3
PSA 26.30000 LogP 1.50190
Solubility N/A Melting Point N/A
Formula C5H7F3O2 Boiling Point 71.1 °C at 760 mmHg
Molecular Weight 156.105 Flash Point -16℃
Transport Information UN 3272 Appearance N/A
Safety 16 Risk Codes 10
Molecular Structure Molecular Structure of 2365-82-4 (Methyl 4,4,4-trifluorobutyrate) Hazard Symbols FlammableF;IrritantXi
Synonyms

Methyl 4,4,4-trifluorobutyrate;Methyl 4,4,4-trifluorobutanoate;

Article Data 5

Methyl 4,4,4-trifluorobutyrate Specification

The Methyl 4,4,4-trifluorobutyrate, with the CAS registry number of 2365-82-4, is also known as Methyl 4,4,4-trifluorobutyrate. The molecular formula of this chemical is C5H7F3O2 and its molecular weight is 156.1. What's more, its systematic name is Methyl 4,4,4-trifluorobutanoate.

Physical properties about Methyl 4,4,4-trifluorobutyrate are: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.36; (4)ACD/LogD (pH 7.4): 1.36; (5)ACD/BCF (pH 5.5): 6.34; (6)ACD/BCF (pH 7.4): 6.34; (7)ACD/KOC (pH 5.5): 130.62; (8)ACD/KOC (pH 7.4): 130.62; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.339; (14)Molar Refractivity: 27.44 cm3; (15)Molar Volume: 130.9 cm3; (16)Polarizability: 10.88×10-24 cm3; (17)Surface Tension: 20.7 dyne/cm; (18)Density: 1.192 g/cm3; (19)Enthalpy of Vaporization: 31.26 kJ/mol; (20)Boiling Point: 71.1 °C at 760 mmHg; (21)Vapour Pressure: 126 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it may cause inflammation to the skin or other mucous membranes. Besides, this chemical is highly flammable, and it may catch fire in contact with an ignition source. Hence, keep it away from sources of ignition.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)CCC(=O)OC
(2) InChI: InChI=1/C5H7F3O2/c1-10-4(9)2-3-5(6,7)8/h2-3H2,1H3
(3) InChIKey: RVNWLMWNUJPCQD-UHFFFAOYAF

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