Home
Products
Reagents for Polymerization
Reagents for CRP
Other Reagents for CRP
2,3,4,5,6-Pentafluorophenylbis(trifluoromethanesulfonyl)methane

2,3,4,5,6-Pentafluorophenylbis(trifluoromethanesulfonyl)methane

Inquiry

Molecular Formula:

MFCD04117910

Molecular Weight:

446.21

CAS Number:

405074-81-9

Catalog Number:

405074-81-9

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

Canonical 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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

445.9140606 g/mol

Monoisotopic Mass

445.9140606 g/mol

Topological Polar Surface Area

85Å²

Heavy Atom Count

Formal Charge

Complexity

657

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass

Concentration

Volume

Molecular Weight *

Calculate

The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)