CAS No.79963-95-4,2,2,2-Trifluoroethyl perfluorobutylsulfonate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	79963-95-4
Name:	2,2,2-Trifluoroethyl perfluorobutylsulfonate
Article Data:	5

Formula:	C₆H₂F₁₂O₃S
Molecular Weight:	382.127
Synonyms:	1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonicacid 2,2,2-trifluoroethyl ester;2,2,2-Trifluoroethyl nonafluorobutanesulfonate;
Density:	1.732 g/cm³
Boiling Point:	170.2 °C at 760 mmHg
Flash Point:	56.7 °C
Hazard Symbols:	CT
Risk Codes:	34
Safety:	26-36/37/39-45
PSA:	51.75000
LogP:	4.40160

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Specification

The cas register number of 2,2,2-Trifluoroethyl perfluorobutylsulfonate is 79963-95-4. It also can be called as 1-butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, 2,2,2-trifluoroethyl ester and the Systematic name about this chemical is 2,2,2-trifluoroethyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate.

Physical properties about 2,2,2-Trifluoroethyl perfluorobutylsulfonate are: (1)ACD/LogP: 6.31; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.31; (4)ACD/LogD (pH 7.4): 6.31; (5)ACD/BCF (pH 5.5): 36892.29; (6)ACD/BCF (pH 7.4): 36892.29; (7)ACD/KOC (pH 5.5): 64654.09; (8)ACD/KOC (pH 7.4): 64654.09; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 51.75Å²; (13)Index of Refraction: 1.304; (14)Molar Refractivity: 41.85 cm³; (15)Molar Volume: 220.5 cm³; (16)Surface Tension: 19.4 dyne/cm; (17)Density: 1.732 g/cm³; (18)Flash Point: 56.7 °C; (19)Enthalpy of Vaporization: 38.99 kJ/mol; (20)Boiling Point: 170.2 °C at 760 mmHg; (21)Vapour Pressure: 1.97 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is causes burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. People must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
1.SMILES: FC(F)(C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)OCC(F)(F)F
2.InChI: InChI=1/C6H2F12O3S/c7-2(8,9)1-21-22(19,20)6(17,18)4(12,13)3(10,11)5(14,15)16/h1H2
3.InChIKey: KJGYBFLEIPDFNQ-UHFFFAOYAV
4.Std. InChI: InChI=1S/C6H2F12O3S/c7-2(8,9)1-21-22(19,20)6(17,18)4(12,13)3(10,11)5(14,15)16/h1H2