Acetic acid,2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]-, methyl ester supplier

Name
METHYL PERFLUORO-3,6-DIOXAHEPTANOATE
EINECS
CAS No. 39187-41-2
Article Data1
CAS DataBase
Density 1.606 g/cm³
Solubility
Melting Point
Formula C₆H₃F₉O₄
Boiling Point 160.7 °C at 760 mmHg
Molecular Weight 310.07
Flash Point 50.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Aceticacid, difluoro[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]-, methyl ester(9CI);Methyl perfluoro-3,6-dioxaheptanoate;Methyl perfluoro-3,6-dioxaheptanoic acid;methyl 2,2-difluoro-2-(1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy)acetate;
PSA 44.76000
LogP 2.49080

Acetic acid,2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]-, methyl ester Specification

The Acetic acid,2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]-, methyl ester, with the CAS registry number 39187-41-2, is also known as Methyl perfluoro-3,6-dioxaheptanoate. This chemical's molecular formula is C₆H₃F₉O₄ and molecular weight is 310.07. What's more, its systematic name is methyl difluoro[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetate.

Physical properties of Acetic acid,2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]-, methyl ester are: (1)ACD/LogP: 7.87; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.87; (4)ACD/LogD (pH 7.4): 7.87; (5)ACD/BCF (pH 5.5): 562032.06; (6)ACD/BCF (pH 7.4): 562032.06; (7)ACD/KOC (pH 5.5): 454202.94; (8)ACD/KOC (pH 7.4): 454202.94; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.303; (14)Molar Refractivity: 36.44 cm³; (15)Molar Volume: 193 cm³; (16)Polarizability: 14.44×10^-24 cm³; (17)Surface Tension: 18.6 dyne/cm; (18)Density: 1.606 g/cm³; (19)Flash Point: 50.2 °C; (20)Enthalpy of Vaporization: 39.73 kJ/mol; (21)Boiling Point: 160.7 °C at 760 mmHg; (22)Vapour Pressure: 2.35 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: FC(F)(OC(F)(F)F)C(F)(F)OC(F)(F)C(=O)OC
(2)InChI: InChI=1/C6H3F9O4/c1-17-2(16)3(7,8)18-4(9,10)5(11,12)19-6(13,14)15/h1H3
(3)InChIKey: NDRNDAZKCQFBST-UHFFFAOYAW

Product Name

METHYL PERFLUORO-3,6-DIOXAHEPTANOATE

Acetic acid,2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]-, methyl ester Specification

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