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Name |
1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulphonic anhydride |
EINECS | 253-270-9 |
CAS No. | 36913-91-4 | Density | 1.894 g/cm3 |
PSA | 94.27000 | LogP | 6.67560 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8F18O5S2 | Boiling Point | 219.314 °C at 760 mmHg |
Molecular Weight | 582.188 | Flash Point | 86.438 °C |
Transport Information | UN 3264 8/PG 2 | Appearance | N/A |
Safety | 26-36/37/39-45 | Risk Codes | 14-34 |
Molecular Structure | Hazard Symbols | C | |
Synonyms |
1,1,2,2,3,3,4,4,4-Nonafluorobutylsulfonyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate; |
Article Data | 4 |
The 1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulphonic anhydride, with the CAS registry number 36913-91-4, is also known as Bis(nonafluoro-1-butanesulfonic)anhydride. It belongs to the product categories of Sulfonic/Sulfinic Acid Anhydrides; Organic Building Blocks; Sulfur Compounds. Its EINECS registry number is 253-270-9. This chemical's molecular formula is C8F18O5S2 and molecular weight is 582.18. What's more, both its IUPAC name and systematic name are the same which is called 1,1,2,2,3,3,4,4,4-Nonafluorobutylsulfonyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate.
Physical properties about 1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulphonic anhydride are: (1)ACD/LogP: 6.806; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 6.81; (4)ACD/LogD (pH 7.4): 6.81; (5)ACD/BCF (pH 5.5): 87624.88; (6)ACD/BCF (pH 7.4): 87624.88; (7)ACD/KOC (pH 5.5): 120091.50; (8)ACD/KOC (pH 7.4): 120091.50; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12) Polar Surface Area: 94.27 Å2; (13)Index of Refraction: 1.318; (14)Molar Refractivity: 60.677 cm3; (15)Molar Volume: 307.461 cm3; (16)Polarizability: 24.054×10-24cm3; (17)Surface Tension: 22.329 dyne/cm; (18)Density: 1.894 g/cm3; (19)Flash Point: 86.438 °C; (20)Enthalpy of Vaporization: 43.716 kJ/mol; (21)Boiling Point: 219.314 °C at 760 mmHg; (22)Vapour Pressure: 0.177 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical may destroy living tissue on contact and it reacts violently with water. In addition, it may cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
(2) InChI: InChI=1S/C8F18O5S2/c9-1(10,5(17,18)19)3(13,14)7(23,24)32(27,28)31-33(29,30)8(25,26)4(15,16)2(11,12)6(20,21)22
(3) InChIKey: QKIHLPFZYGFMDK-UHFFFAOYSA-N