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Name |
Methanesulfonic acid,1,1,1-trifluoro-, 1,1'-[1,1'-binaphthalene]-2,2'-diyl ester |
EINECS | N/A |
CAS No. | 128575-34-8 | Density | 1.591g/cm3 |
PSA | 103.50000 | LogP | 8.27840 |
Solubility | N/A | Melting Point |
83-85 °C(lit.) |
Formula | C22H12F6O6S2 | Boiling Point | 578.8 °C at 760 mmHg |
Molecular Weight | 550.456 | Flash Point | 303.9 °C |
Transport Information | UN 3261 | Appearance | N/A |
Safety | 26-36/37/39-45-27 | Risk Codes | 34 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Methanesulfonicacid, trifluoro-, [1,1'-binaphthalene]-2,2'-diyl ester (9CI);Methanesulfonicacid, trifluoro-, [1,1'-binaphthalene]-2,2'-diyl ester, (?à)-;2,2'-Bis(trifluoromethanesulfonyloxy)-1,1'-binaphthalene;2,2'-Bis(trifluoromethanesulfonyloxy)-1,1'-binaphthyl;NSC 686511; |
Article Data | 93 |
The Methanesulfonic acid,1,1,1-trifluoro-, 1,1'-[1,1'-binaphthalene]-2,2'-diyl ester, with CAS registry number 128575-34-8, belongs to the following product categories: (1)Organic Building Blocks; (2)Organic Triflates; (3)Sulfur Compounds. It has the systematic name of 1,1'-binaphthalene-2,2'-diyl bis(trifluoromethanesulfonate). And the chemical formula of this chemical is C22H12F6O6S2.
Physical properties of Methanesulfonic acid,1,1,1-trifluoro-, 1,1'-[1,1'-binaphthalene]-2,2'-diyl ester: (1)ACD/LogP: 7.18; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 7.18; (4)ACD/LogD (pH 7.4): 7.18; (5)ACD/BCF (pH 5.5): 167686.56; (6)ACD/BCF (pH 7.4): 167686.56; (7)ACD/KOC (pH 5.5): 191105.16; (8)ACD/KOC (pH 7.4): 191105.16; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 103.5 Å2; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 117.67 cm3; (15)Molar Volume: 345.8 cm3; (16)Polarizability: 46.65×10-24cm3; (17)Surface Tension: 49 dyne/cm; (18)Density: 1.591 g/cm3; (19)Flash Point: 303.9 °C; (20)Enthalpy of Vaporization: 83.41 kJ/mol; (21)Boiling Point: 578.8 °C at 760 mmHg; (22)Vapour Pressure: 8.62E-13 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Methanesulfonic acid,1,1,1-trifluoro-, 1,1'-[1,1'-binaphthalene]-2,2'-diyl ester may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. After using it, take off immediately all contaminated clothing. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)S(=O)(=O)Oc4ccc1ccccc1c4c2c3ccccc3ccc2OS(=O)(=O)C(F)(F)F
(2)InChI: InChI=1/C22H12F6O6S2/c23-21(24,25)35(29,30)33-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)34-36(31,32)22(26,27)28/h1-12H
(3)InChIKey: OYJLCOSEYYZULE-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C22H12F6O6S2/c23-21(24,25)35(29,30)33-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)34-36(31,32)22(26,27)28/h1-12H
(5)Std. InChIKey: OYJLCOSEYYZULE-UHFFFAOYSA-N