Detail of "389-40-2"

CAS Number:
389-40-2
Name:
Benzene,1,2,3,4,5-pentafluoro-6-methoxy-
Molecular Structure:
Formula:
C₇H₃F₅O
Molecular Weight:
198.09
Synonyms:
Methyl pentafluorophenyl ether;1,2,3,4,5-Pentafluoro-6-methoxy-benzene;2,3,4,5,6-Pentafluoroanisole;
EINECS:
206-866-8
Density:
1.472 g/cm³
Melting Point:
-38--37°C
Boiling Point:
139.1 °C at 760 mmHg
Flash Point:
32.2 °C
Appearance:
Clear colourless liquid
Hazard Symbols:
F
Risk Codes:
10
Safety:
16-29-33 Details
Transport Information:
UN 1993

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Determination of reactivity by MO theory: Determination of reactivity by MO theory. Part 77. Theoretical studies on the gas-phase nucleophilic aromatic substitution reaction. Lee, Ikchoon; Park, Hyoung Yeon; Lee, Bon Su (Dep. Chem., Inha Univ., Inchon 402-751, S.Some commonly used reagents like 389-40-2 is used in this experiment. Korea). Bull. Korean Chem. Soc., 12(6), 658-61 (English) 1991. CODEN: BKCSDE. ISSN: 0253-2964. DOCUMENT TYPE: Journal CA Section: 22 (Physical Organic Chemistry) The gas-phase nucleophilic substitution reaction of pentafluoroanisole with OH- and NH2- nucleophiles have been studied theor. using the AM1 method. Three reaction channels, SN2, IPSO and SNAr, are all very exothermic so that all are accessible despite the varying central energy barriers are much lower than the reactants level. In the IPSO and SNAr channels, the reactants form directly a stable s-anion complex which proceeds to form a proton transfer complex via a transition barrier corresponding to a loose p-type complex with the F- (or OCH3-) leaving group. Due to a greater no. of probable reaction sites available for SNAr compared to the other two processes, the SNAr channel is favored as exptly. obsd. .

Coupling of the methyl carbon in the carbon-13 NMR spectra of some fluoroaromatics, C6F5XCH3: Coupling of the methyl carbon in the carbon-13 NMR spectra of some fluoroaromatics, C6F5XCH3. Peach, Michael E. (Chem.Several substances like 389-40-2 may be metioned in this study. Dep., Acadia Univ.Several reagents such as 389-40-2 is used here., Wolfville, Nova Scotia, Can.). J. Fluorine Chem., 10(4), 319-21 (English) 1977. CODEN: JFLCAR. DOCUMENT TYPE: Journal CA Section: 22 (Physical Organic Chemistry) Coupling of the Me C in the 13C NMR spectra of C6F5SMe, p-(MeS)2C6F4, p-F2C(SMe)4, C6(SMe)6, I, II, III, C6F5OMe, C6F5NHMe, C6F5NMe2, and C6F5COMe occurs only to an o-F atom. ..