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2-(Trifluoromethyl)-4-iodobenzoic acid is a specialized aromatic halide chemical compound characterized by the presence of a trifluoromethyl group (-CF3), an iodine atom, and a carboxylic acid group (-COOH) within its structure. These functional groups endow it with unique chemical properties, making it an essential component in various research and chemical synthesis processes. Typically a solid at room temperature, it has a molecular weight of 338.01 g/mol.

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  • 954815-11-3 Structure
  • Basic information

    1. Product Name: 2-(trifluoroMethyl)-4-iodobenzoic acid
    2. Synonyms: 2-(trifluoroMethyl)-4-iodobenzoic acid;4-Iodo-2-(trifluoroMethyl)benzoic acid;4-Iodo-2-(trifluoromethyl)
    3. CAS NO:954815-11-3
    4. Molecular Formula: C8H4F3IO2
    5. Molecular Weight: 316.0158396
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 954815-11-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C(protect from light)
    8. Solubility: N/A
    9. CAS DataBase Reference: 2-(trifluoroMethyl)-4-iodobenzoic acid(CAS DataBase Reference)
    10. NIST Chemistry Reference: 2-(trifluoroMethyl)-4-iodobenzoic acid(954815-11-3)
    11. EPA Substance Registry System: 2-(trifluoroMethyl)-4-iodobenzoic acid(954815-11-3)
  • Safety Data

    1. Hazard Codes: N/A
    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: 954815-11-3(Hazardous Substances Data)

954815-11-3 Usage

Uses

Used in Organic Synthesis:
2-(Trifluoromethyl)-4-iodobenzoic acid is used as a building block in the organic synthesis industry for creating more complex molecules. Its distinct chemical properties, including the presence of a trifluoromethyl group and an iodine atom, make it a valuable precursor in the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Research and Development:
In the research and development sector, 2-(Trifluoromethyl)-4-iodobenzoic acid serves as a key intermediate in the development of new chemical entities and materials. Its unique structure allows for exploration of novel reactions and the synthesis of innovative compounds with potential applications in various fields.
It is important to handle 2-(Trifluoromethyl)-4-iodobenzoic acid with care due to its potential risks and reactivity as a chemical substance. Proper safety measures should be taken during its use in both research and industrial applications to ensure the safety of personnel and the environment.

Check Digit Verification of cas no

The CAS Registry Mumber 954815-11-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 9,5,4,8,1 and 5 respectively; the second part has 2 digits, 1 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 954815-11:
(8*9)+(7*5)+(6*4)+(5*8)+(4*1)+(3*5)+(2*1)+(1*1)=193
193 % 10 = 3
So 954815-11-3 is a valid CAS Registry Number.

954815-11-3SDS

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-Iodo-2-(trifluoromethyl)benzoic acid

1.2 Other means of identification

Product number -
Other names 4-Iodo-2-trifluoromethyl-benzoic acid

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:954815-11-3 SDS

954815-11-3Relevant articles and documents

Silver-Catalyzed C-H Trifluoromethylation of Arenes Using Trifluoroacetic Acid as the Trifluoromethylating Reagent

Shi, Guangfa,Shao, Changdong,Pan, Shulei,Yu, Jingxun,Zhang, Yanghui

, p. 38 - 41 (2015/07/28)

Direct trifluoromethylation of arenes using TFA as the trifluoromethylating reagent was achieved with Ag as the catalyst. This reaction not only provides a new protocol for aryl C-H trifluoromethylation, but the generation of CF3· from TFA may prove useful in other contexts and could potentially be extended to other trifluoromethylation reactions. (Chemical Equation Presented).

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