2,3,4,5,6-Pentafluorophenylbis(trifluoromethanesulfonyl)methane
Product Information
Molecular Formula
MFCD04117910
Molecular Weight
446.21
Description
2,3,4,5,6-Pentafluorophenylbis(trifluoromethanesulfonyl)methane is a specialized compound primarily used in the synthesis of pharmaceutical drugs and agrochemical products. It aids in achieving stereo-specific reactions, allowing for precise control in biomedical research and development.
Synonyms
1-[Bis(trifluoromethanesulfonyl)methyl]-2,3,4,5,6-pentafluorobenzene; Benzene, [bis[(trifluoromethyl)sulfonyl]methyl]pentafluoro-; 1-[bis(trifluoromethylsulfonyl)methyl]-2,3,4,5,6-pentafluorobenzene; pentafluorophenylbis(triflyl)methane; 1-(Bis-trifluoromethanesulfonyl-methyl)-2,3,4,5,6-pentafluoro-benzene; (Pentafluorophenyl)bis(trifluoromesyl)methane; 2,3,4,5,6-Pentafluorophenylbis(trifluoromethanesulfonyl)methane; 1-{bis[(trifluoromethyl)sulfonyl]methyl}-2,3,4,5,6-pentafluorobenzene; alpha,alpha-Bis(trifluoromethanesulfonyl)-2,3,4,5,6-pentafluorotoluene
IUPAC Name
1-[bis(trifluoromethylsulfonyl)methyl]-2,3,4,5,6-pentafluorobenzene
SMILES
C1(=C(C(=C(C(=C1F)F)F)F)F)C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChI
InChI=1S/C9HF11O4S2/c10-2-1(3(11)5(13)6(14)4(2)12)7(25(21,22)8(15,16)17)26(23,24)9(18,19)20/h7H
InChI Key
RLLDXJXYMKTGPV-UHFFFAOYSA-N
Melting Point
89 °C
Purity
>98.0%(T)
Appearance
White to Light yellow to Light orange powder to crystal
Safety Information
Hazards
H314 H290
Precautionary Statement
P501 P260 P234 P264P280 P390 P303 + P361 + P353 P301 + P330 + P331 P304 + P340 + P310 P305 + P351 + P338 +P310 P406 P405
Computed Properties
XLogP3
3.5
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
15
Rotatable Bond Count
3
Exact Mass
445.9140606 g/mol
Monoisotopic Mass
445.9140606 g/mol
Topological Polar Surface Area
85Ų
Heavy Atom Count
26
Formal Charge
0
Complexity
657
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| JP-2021183314-A | Emulsifying composition containing emulsifier and emulsifier | 2020-05-22 |
| JP-2021183676-A | Production method of diblock type copolymer, diblock type copolymer and use of diblock type copolymer | 2020-05-22 |
| WO-2021235266-A1 | Diblock copolymer, method for producing diblock copolymer, and use of diblock copolymer | 2020-05-22 |
| WO-2021235274-A1 | Emulsifier and emulsion composition containing same | 2020-05-22 |
| JP-2021178791-A | Cosmetics | 2020-05-13 |
| WO-2021229953-A1 | Cosmetic | 2020-05-13 |
| EP-3766908-A1 | Polymer crosslinking agent, and high molecular weight polymer and composition using same | 2019-07-16 |
| JP-2021014548-A | Polymer cross-linking agent and polymer polymer and composition using the same | 2019-07-16 |
| KR-20210009287-A | Polymer crosslinking agent, and polymer and composition using same | 2019-07-16 |
| US-2021017199-A1 | Polymer crosslinking agent, and high molecular weight polymer and composition using same | 2019-07-16 |
