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1H,1H-Heptafluorobutyl triflate is an organofluorine compound derived from heptafluorobutane and triflic acid. It is a valuable catalyst and reagent in organic synthesis reactions due to its ability to stabilize carbon cations, facilitating the formation of carbon-carbon and carbon-heteroatom bonds. Its strong acid catalytic properties and fluorinated structure contribute to selectivity and efficiency in various chemical transformations.

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  • 6401-01-0 Structure
  • Basic information

    1. Product Name: 1H,1H-HEPTAFLUOROBUTYL TRIFLATE
    2. Synonyms: 2,2,3,3,4,4,4-HEPTAFLUOROBUTYL TRIFLUOROMETHANESULFONATE;2,2,3,3,4,4,4-HEPTAFLUOROBUTYL TRIFLUOROMETHANESULPHONATE;1H,1H-HEPTAFLUOROBUTYL TRIFLATE;1H,1H-HEPTAFLUOROBUTYL TRIFLUOROMETHANESULFONATE;1H,1H-Heptafluorobutyl trifluoromethanesulphonate;1H,1H-Heptafluorobutyl trifluoromethanesulphonate 97%;1H,1H-Heptafluorobutyltrifluoromethanesulphonate97%
    3. CAS NO:6401-01-0
    4. Molecular Formula: C5H2F10O3S
    5. Molecular Weight: 332.12
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 6401-01-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 118-120/732mm
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: 1.302
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 1H,1H-HEPTAFLUOROBUTYL TRIFLATE(CAS DataBase Reference)
    10. NIST Chemistry Reference: 1H,1H-HEPTAFLUOROBUTYL TRIFLATE(6401-01-0)
    11. EPA Substance Registry System: 1H,1H-HEPTAFLUOROBUTYL TRIFLATE(6401-01-0)
  • Safety Data

    1. Hazard Codes: C,T
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: TOXIC, CORROSIVE
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 6401-01-0(Hazardous Substances Data)

6401-01-0 Usage

Uses

Used in Organic Synthesis:
1H,1H-Heptafluorobutyl triflate is used as a catalyst and reagent for stabilizing carbon cations in the formation of carbon-carbon and carbon-heteroatom bonds, enhancing the efficiency and selectivity of organic synthesis reactions.
Used in Pharmaceutical Industry:
1H,1H-Heptafluorobutyl triflate is used as a catalyst in the synthesis of complex organic molecules for pharmaceutical applications, leveraging its unique properties to improve the efficiency and selectivity of chemical reactions.
Used in Agrochemical Industry:
1H,1H-Heptafluorobutyl triflate is employed as a strong acid catalyst in the synthesis of agrochemical compounds, promoting selectivity and efficiency in the formation of desired products.

Check Digit Verification of cas no

The CAS Registry Mumber 6401-01-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,4,0 and 1 respectively; the second part has 2 digits, 0 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 6401-01:
(6*6)+(5*4)+(4*0)+(3*1)+(2*0)+(1*1)=60
60 % 10 = 0
So 6401-01-0 is a valid CAS Registry Number.

6401-01-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,2,3,3,4,4,4-Heptafluorobutyl trifluoromethanesulfonate

1.2 Other means of identification

Product number -
Other names 2,2,3,3,4,4,4-heptafluorobutyl trifluoromethanesulfonate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:6401-01-0 SDS

6401-01-0Relevant articles and documents

Synthesis and characterization of light-fluorous NHC-ligands and their palladium complexes

Horváth, István T.,Lo, Angel S. W.,Yiu, Ken S. M.

, (2020/12/14)

Light-fluorous ponytails containing perfluoro-n-propyl, perfluoro-n-butyl and perfluoro-t-butoxy groups were used to synthesize light-fluorous α-olefins, branched dialkyl iodides, alkyl triflates, alkyl imidazoles, and dialkyl imidazolium salts. The latte

AMIDINE COMPOUNDS AND USE THEREOF FOR PLANT DISEASE CONTROL

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Page/Page column 128-129, (2012/07/14)

An amidine compound represented by formula (1): wherein R1 represent a C1-C11 fluoroalkyl group, a C3-C11 fluoroalkenyl group or a C3-C11 fluoroalkynyl group; R2 represent a C1-C3 alkyl group; R3 represent a C1-C3 alkyl group; R4 represent a C3-C6 cycloalkyl group or a C1-C6 alkyl group optionally having one or more halogens and R5 represent a C3-C6 cycloalkyl group or a C1-C6 alkyl group optionally having one or more halogens, said compound having excellent plant disease controlling effect.

NITRILE COMPOUND AND ITS USE IN PEST CONTROL

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Page/Page column 125, (2010/02/12)

The present invention provides a nitrile compound represented by the formula (I): wherein R represents C1-C4 fluoroalkyl, Q represents halogen, C1-C11 alkyl optionally substituted with halogen, C2-C6 alkenyl group optionally substituted with halogen, C2-C6 alkynyl optionally substituted with halogen, C3-C7 cycloalkyl optionally substituted with halogen or (C3-C7 cycloalkyl optionally substituted with halogen)C1-C4 alkyl, which has excellent control effect against pests.

Various synthetic approaches to fluoroalkyl p-nitrophenyl ethers

Preschera, Dietrich,Thiele, Thomas,Ruhmann, Ralf

, p. 145 - 148 (2007/10/03)

Homologous 1H,1H-perfluoroalkyl p-nitrophenyl ethers (alkyl = C2-C8) were synthesized using different methods. The results are discussed in context with contradictory comments of the literature. The fluoroalkoxylation of p-chloronitrobenzene occurs in only one step, but it is limited to small fluoroalkyl groups. The fluoroalkylation of p-nitrophenol via sulphonic acid esters is a better synthetic route. Differences in reactivity and yield between tosylates, mesylates and inflates are found and discussed. The preferred synthesis includes the use of trifluoromethane sulphonic acid esters.

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