CAS No.14312-89-1,METHYL PERFLUOROHEPTANOATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	14312-89-1
Name:	METHYL PERFLUOROHEPTANOATE
Article Data:	5

Formula:	C₈H₃F₁₃O₂
Molecular Weight:	378.09
Synonyms:	Heptanoicacid, tridecafluoro-, methyl ester (8CI,9CI);Methyl perfluoroheptanoate;Methyltridecafluoroheptanoate;Tridecafluoroheptanoic acid methyl ester;
Density:	1.607 g/cm³
Boiling Point:	132.4 °C at 760 mmHg
Flash Point:	33.8 °C
Hazard Symbols:	F
PSA:	26.30000
LogP:	3.89820

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Specification

This chemical is called Heptanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-, methyl ester, and its systematic name is methyl tridecafluoroheptanoate. With the molecular formula of C₈H₃F₁₃O₂, its molecular weight is 378.08. The CAS registry number of this chemical is 14312-89-1.

Other characteristics of the Heptanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-, methyl ester can be summarised as followings: (1)ACD/LogP: 5.96; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.96; (4)ACD/LogD (pH 7.4): 5.96; (5)ACD/BCF (pH 5.5): 19996.96; (6)ACD/BCF (pH 7.4): 19996.96; (7)ACD/KOC (pH 5.5): 41707.71; (8)ACD/KOC (pH 7.4): 41707.71; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.291; (14)Molar Refractivity: 42.8 cm³; (15)Molar Volume: 235.1 cm³; (16)Polarizability: 16.97×10^-24cm³; (17)Surface Tension: 15.8 dyne/cm; (18)Density: 1.607 g/cm³; (19)Flash Point: 33.8 °C; (20)Enthalpy of Vaporization: 36.99 kJ/mol; (21)Boiling Point: 132.4 °C at 760 mmHg; (22)Vapour Pressure: 8.89 mmHg at 25°C.

Production method of this chemical: The Heptanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-, methyl ester could be obtained by the reactant of methanol and Perfluorenanthylchlorid. This reaction needs the reagent of pyridine. The yield is 88 %. In addition, this reaction should be taken for 4 hours at the temperature of 0-5 °C.

Uses of this chemical: The 1H,1H-tridecafluoro-heptan-1-ol could be obtained by the reactant of 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-heptanoic acid methyl ester. This reaction needs the reagent of lithium alanate, diethyl ether.

You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(C(F)(F)C(=O)OC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
2.InChI: InChI=1/C8H3F13O2/c1-23-2(22)3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1H3
3.InChIKey: JHROQORAJUWVCD-UHFFFAOYAW