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1,1,1-Trifluoro-3-iodobutane, also known as trifluoroiodobutane, is a chemical compound characterized by the molecular formula C4H7F3I. It is a colorless, odorless liquid with distinctive properties such as a high boiling point and low volatility. 1,1,1-TRIFLUORO-3-IODOBUTANE is recognized for its utility in organic synthesis, particularly in the creation of pharmaceuticals and agrochemicals, due to its capacity to introduce trifluoromethyl and iodo functional groups into organic molecules. Its value in organic chemistry is further enhanced by its applications as a solvent and as an intermediate in the synthesis of other fluorinated compounds. However, the high reactivity of 1,1,1-trifluoro-3-iodobutane necessitates careful handling and adherence to safety protocols to mitigate potential risks to human health and the environment.

540-87-4

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540-87-4 Usage

Uses

Used in Organic Synthesis:
1,1,1-Trifluoro-3-iodobutane is used as a building block and reagent in organic synthesis for its ability to introduce the trifluoromethyl group and the iodo functional group into organic molecules, which is crucial in the preparation of pharmaceuticals and agrochemicals.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 1,1,1-trifluoro-3-iodobutane is utilized as a key intermediate in the synthesis of various drug molecules, contributing to the development of new medications with improved therapeutic properties.
Used in Agrochemical Industry:
Similarly, in the agrochemical sector, 1,1,1-trifluoro-3-iodobutane serves as an essential component in the production of crop protection agents and other agricultural chemicals, enhancing their effectiveness and selectivity.
Used as a Solvent:
1,1,1-Trifluoro-3-iodobutane is also employed as a solvent in certain chemical processes, taking advantage of its unique solvency properties for specific applications.
Used in Production of Fluorinated Compounds:
As an intermediate, 1,1,1-trifluoro-3-iodobutane plays a significant role in the manufacture of other fluorinated compounds, which have a wide range of applications across various industries due to their unique chemical and physical properties.

Check Digit Verification of cas no

The CAS Registry Mumber 540-87-4 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,4 and 0 respectively; the second part has 2 digits, 8 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 540-87:
(5*5)+(4*4)+(3*0)+(2*8)+(1*7)=64
64 % 10 = 4
So 540-87-4 is a valid CAS Registry Number.
InChI:InChI=1/C4H6F3I/c1-3(8)2-4(5,6)7/h3H,2H2,1H3

540-87-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 1,1,1-trifluoro-3-iodobutane

1.2 Other means of identification

Product number -
Other names 1,1,1-Trifluor-3-jod-butan

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:540-87-4 SDS

540-87-4Relevant academic research and scientific papers

1-Cyano-3-(fluoroalkyl)guanidines for lowering blood pressure

-

, (2008/06/13)

1-Cyano-3-(fluoroalkyl)guanidines of the formula: STR1 in which R1, R2 and R3 are the same or different members of the class of hydrogen, fluorine, lower alkyl or lower alkenyl provided that at least one member is fluorine or fluoro-substituted alkyl or alkenyl. These compounds are useful for their biological properties, e.g. in treating elevated blood pressure and Parkinson's disease.

Addition of Free Radicals to Unsaturated Systems. Part 24. Kinetics and Mechanism of the Gas-phase Thermal Reactions of Trifluoroiodomethane with Propene

Haszeldine, Robert N.,Keen, David W.,Robinson, Peter J.

, p. 1713 - 1718 (2007/10/02)

The gas-thermal addition of trifluoroiodomethane to propene, at temperatures of 533-583 K, reactant ratios from 1:1 to 4:1, and total pressures of 100-300 mmHg, is shown to be a free-radical chain reaction with the kinetic equation as shown below.It is concluded that initiation is by the reaction of d/dt=k82>0.253I>1.093H6>0.41 iodine atoms, in thermal equilibrium with molecular iodine, with trifluoroiodomethane, and termination is predominantly by reactions involving trifluorobutyl radicals.The Arrhenius parameters found for k8 are discussed in terms of those for the elementary reactions involved on the basis of the proposed mechanism.

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