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4,5,5,5-TETRAFLUORO-4-TRIFLUOROMETHYL-2-IODOPENTAN-1-OL is a fluorinated organic compound characterized by its molecular formula C7H5F7IO. It features a trifluoromethyl group and an iodine atom attached to a pentanol chain, which endows it with unique structural and chemical properties. 4,5,5,5-TETRAFLUORO-4-TRIFLUOROMETHYL-2-IODOPENTAN-1-OL is known for its versatility in chemical synthesis and its potential applications in various fields.

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  • 114810-56-9 Structure
  • Basic information

    1. Product Name: 4,5,5,5-TETRAFLUORO-4-TRIFLUOROMETHYL-2-IODOPENTAN-1-OL
    2. Synonyms: 4,5,5,5-TETRAFLUORO-4-TRIFLUOROMETHYL-2-IODOPENTAN-1-OL;2-Iodo-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-ol
    3. CAS NO:114810-56-9
    4. Molecular Formula: C6H6F7IO
    5. Molecular Weight: 354
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 114810-56-9.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 144.2°Cat760mmHg
    3. Flash Point: 41°C
    4. Appearance: /
    5. Density: 1.939g/cm3
    6. Vapor Pressure: 2.05mmHg at 25°C
    7. Refractive Index: 1.411
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. Sensitive: Light Sensitive
    11. CAS DataBase Reference: 4,5,5,5-TETRAFLUORO-4-TRIFLUOROMETHYL-2-IODOPENTAN-1-OL(CAS DataBase Reference)
    12. NIST Chemistry Reference: 4,5,5,5-TETRAFLUORO-4-TRIFLUOROMETHYL-2-IODOPENTAN-1-OL(114810-56-9)
    13. EPA Substance Registry System: 4,5,5,5-TETRAFLUORO-4-TRIFLUOROMETHYL-2-IODOPENTAN-1-OL(114810-56-9)
  • Safety Data

    1. Hazard Codes:  Harmful/
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 114810-56-9(Hazardous Substances Data)

114810-56-9 Usage

Uses

Used in Pharmaceutical Synthesis:
4,5,5,5-TETRAFLUORO-4-TRIFLUOROMETHYL-2-IODOPENTAN-1-OL is used as a building block in the synthesis of pharmaceuticals for its ability to introduce fluorine and iodine atoms into organic molecules. The presence of these atoms can significantly alter the pharmacokinetic and pharmacodynamic properties of the resulting compounds, enhancing their therapeutic efficacy and selectivity.
Used in Agrochemical Synthesis:
In the agrochemical industry, 4,5,5,5-TETRAFLUORO-4-TRIFLUOROMETHYL-2-IODOPENTAN-1-OL serves as a key intermediate in the development of new pesticides and herbicides. Its unique structure allows for the creation of molecules with improved activity and selectivity against target pests, while minimizing environmental impact.
Used in Organic Chemistry Research:
4,5,5,5-TETRAFLUORO-4-TRIFLUOROMETHYL-2-IODOPENTAN-1-OL is utilized as a reagent in organic chemistry research for the introduction of fluorine and iodine atoms into various organic molecules. This capability is valuable for studying the effects of these atoms on molecular properties and reactivity, as well as for the development of new synthetic methods and strategies.
Used in Industrial Processes:
Due to its unique structure and properties, 4,5,5,5-TETRAFLUORO-4-TRIFLUOROMETHYL-2-IODOPENTAN-1-OL finds applications in various industrial processes. It can be used as a precursor for the production of specialty chemicals, materials, and intermediates that require the presence of fluorine and iodine atoms for their specific functions or properties.

Check Digit Verification of cas no

The CAS Registry Mumber 114810-56-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,4,8,1 and 0 respectively; the second part has 2 digits, 5 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 114810-56:
(8*1)+(7*1)+(6*4)+(5*8)+(4*1)+(3*0)+(2*5)+(1*6)=99
99 % 10 = 9
So 114810-56-9 is a valid CAS Registry Number.
InChI:InChI=1/C6H6F7IO/c7-4(5(8,9)10,6(11,12)13)1-3(14)2-15/h3,15H,1-2H2

114810-56-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pentan-1-ol

1.2 Other means of identification

Product number -
Other names -

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:114810-56-9 SDS

114810-56-9Downstream Products

114810-56-9Relevant articles and documents

Fluorinated epoxides 6. Chemoselectivity in the preparation of 2-[(heptafluoroisopropyl)methyl]oxirane from iodoacetate and iodohydrin precursors

Církva, Vladimír,Duchek, Jan,Paleta, Old?ich

, p. 101 - 104 (2007/10/03)

Fluorinated iodoacetate (CF3)2CFCH2 CHICH2OAc (1) (prepared by radical addition of perfluoroisopropyl iodide to allyl acetate) and fluorinated iodohydrin (CF3)2CFCH2CHICH2OH (2) (prepared from 1) were converted to the corresponding perfluoroalkylated oxirane (CF3)2CFCH2CH(-O-)CH2 (3) in the yield of 62%. The chemoselectivity of the oxirane formation appeared to be strongly dependent on the starting compound 1 or 2 and solvent used. Byproducts (CF3)2CFCH= CHCH2OH (4) and (CF3)2CFCH= CHCH2OAc (5) can form a major part of the products in the formation of epoxide 3.

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