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CAS No.: | 356-36-5 |
---|---|
Name: | DIMETHYL TETRAFLUOROSUCCINATE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C6H6F4O4 |
Molecular Weight: | 218.105 |
Synonyms: | Succinic acid, tetrafluoro-, dimethylester (6CI,7CI,8CI);Butanedioicacid, tetrafluoro-, dimethyl ester (9CI);Dimethyl tetrafluorosuccinate; |
Density: | 1.394 g/cm3 |
Boiling Point: | 198.5 °C at 760 mmHg |
Flash Point: | 72.1 °C |
Solubility: | Insoluble in water |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 52.60000 |
LogP: | 0.60300 |
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This chemical is called Dimethyl tetrafluorosuccinate, and its CAS registry number is 356-36-5. With the molecular formula of C6H6F4O4, its molecular weight is 218.10.
Other characteristics of the Dimethyl tetrafluorosuccinate can be summarised as followings: (1)ACD/LogP: 1.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.42; (4)ACD/LogD (pH 7.4): 1.42; (5)ACD/BCF (pH 5.5): 7.07; (6)ACD/BCF (pH 7.4): 7.07; (7)ACD/KOC (pH 5.5): 141.18; (8)ACD/KOC (pH 7.4): 141.18; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.353; (14)Molar Refractivity: 33.98 cm3; (15)Molar Volume: 156.4 cm3; (16)Polarizability: 13.47×10-24cm3; (17)Surface Tension: 24.6 dyne/cm; (18)Density: 1.394 g/cm3; (19)Flash Point: 72.1 °C; (20)Enthalpy of Vaporization: 43.47 kJ/mol; (21)Boiling Point: 198.5 °C at 760 mmHg; (22)Vapour Pressure: 0.359 mmHg at 25°C.
Production method of this chemical: The Dimethyl tetrafluorosuccinate could be obtained by the reactants of 1,4-bis(fluorosulfonyloxy)octafluorobutane and methanol. This reaction needs the reagent of KF. The yield is 76.6 %. The other condition is heating.
Uses of this chemical: The Dimethyl tetrafluorosuccinate could react with b-alanine; sodium salt to obtain the 3-[3-(2-carboxy-ethylcarbamoyl)-2,2,3,3-tetrafluoro-propionylamino]-propionic acid. This reaction needs the solvent of H2O. The yield is 36.3 %. In addition, this reaction should be taken for 1 hour at the temperature of 40-60°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(C(=O)OC)C(F)(F)C(=O)OC
2.InChI: InChI=1/C6H6F4O4/c1-13-3(11)5(7,8)6(9,10)4(12)14-2/h1-2H3
3.InChIKey: RMXAYQBUNVSEPG-UHFFFAOYAH