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255056-48-5

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Basic Information
CAS No.: 255056-48-5
Name: t-Butyl 2-[4-(diphenylsulfonium)naphthoxy]acetate, triflate salt
Molecular Structure:
Molecular Structure of 255056-48-5 (t-Butyl 2-[4-(diphenylsulfonium)naphthoxy]acetate, triflate salt)
Formula: C29H27F3O6S2
Molecular Weight: 592.65
Synonyms: Sulfur, [4-[2-(1,1-dimethylethoxy)-2-oxoethoxy]-1-naphthalenyl]diphenyl[[(trifluoromethyl)sulfonyl]oxy]-;
Density: 1.27 g/cm3
Melting Point: 146-150 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 126.41000
LogP: 7.78790
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  • t-Butyl 2-[4-(diphenylsulfonium)naphthoxy]acetate, triflate salt

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Specification

The t-Butyl 2-[4-(diphenylsulfonium)naphthoxy]acetate, triflate salt , with the CAS registry number 255056-48-5, is also known as Sulfur, [4-[2-(1,1-dimethylethoxy)-2-oxoethoxy]-1-naphthalenyl]diphenyl[[(trifluoromethyl)sulfonyl]oxy]-. This chemical's molecular formula is C29H27F3O6S2 and molecular weight is 592.65. What's more, its systematic name is tert-Butyl ({4-[3,3-dioxido-1,1-diphenyl-3-(trifluoromethyl)-1λ4-dithioxanyl]naphthalen-1-yl}oxy)acetate. Additionally, it should be preserved hermetically and put in a cool, dry place.

Physical properties about t-Butyl 2-[4-(diphenylsulfonium)naphthoxy]acetate, triflate salt : (1)#H bond acceptors: 6; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 10; (4)Polar Surface Area: 87.28 Å2; (5) Index of Refraction: 1.554; (6)Molar Refractivity: 148.95 cm3; (7)Molar Volume: 464.1 cm3; (8)Surface Tension: 41.2 dyne/cm; (9)Density: 1.27 g/cm3; (10)Melting point: 146-150 °C.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)COc2c1c(cccc1)c(cc2)S(OS(=O)(=O)C(F)(F)F)(c3ccccc3)c4ccccc4
(2) InChI: InChI=1/C29H27F3O6S2/c1-28(2,3)37-27(33)20-36-25-18-19-26(24-17-11-10-16-23(24)25)39(21-12-6-4-7-13-21,22-14-8-5-9-15-22)38-40(34,35)29(30,31)32/h4-19H,20H2,1-3H3
(3) InChIKey: KIWHRASQBGLVNS-UHFFFAOYAV