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4,4,4-Trifluorocrotonic acid, also known as 2-Butenoic acid, 4,4,4-trifluoro, is an organic compound with a molecular formula of C4H3F3O2. It is a colorless liquid with a molar mass of about 132.06 g/mol and a boiling point of approximately 70-71°C. This chemical belongs to the class of organic compounds known as acrylic acid and its derivatives, characterized by a carboxylic acid attached to a vinyl group. It is mainly used in research and the development of medicinal chemistry. Due to its chemical properties, it may cause severe burns and eye damage, so it is essential to handle this chemical with care.

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  • 71027-02-6 Structure
  • Basic information

    1. Product Name: 4,4,4-TRIFLUOROCROTONIC ACID
    2. Synonyms: 4,4,4-TRIFLUOROCROTONIC ACID;4,4,4-TRIFLUORO-2-BUTENOIC ACID;RARECHEM AL BO 0835;4,4,4-TrifluoroBut-2-enoicacid;4,4,4-Trifluorocrotonic acid 97%;4,4,4-Trifluorocrotonicacid97%;4,4,4-Trifluoro butynoic acid;(E)-4,4,4-trifluorobut-2-enoic acid
    3. CAS NO:71027-02-6
    4. Molecular Formula: C4H3F3O2
    5. Molecular Weight: 140.06
    6. EINECS: N/A
    7. Product Categories: Fluorochemicals
    8. Mol File: 71027-02-6.mol
  • Chemical Properties

    1. Melting Point: 55-56°C
    2. Boiling Point: 68-69°C 20mm
    3. Flash Point: >110°C
    4. Appearance: /
    5. Density: 1.411g/cm3
    6. Vapor Pressure: 0.0959mmHg at 25°C
    7. Refractive Index: 1.374
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: pK1:3.15 (25°C)
    11. CAS DataBase Reference: 4,4,4-TRIFLUOROCROTONIC ACID(CAS DataBase Reference)
    12. NIST Chemistry Reference: 4,4,4-TRIFLUOROCROTONIC ACID(71027-02-6)
    13. EPA Substance Registry System: 4,4,4-TRIFLUOROCROTONIC ACID(71027-02-6)
  • Safety Data

    1. Hazard Codes: C,Xi
    2. Statements: 34-36/37-10-33/34
    3. Safety Statements: 26-36/37/39-22/23
    4. RIDADR: 3261
    5. WGK Germany: 3
    6. RTECS:
    7. HazardClass: IRRITANT, CORROSIVE
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 71027-02-6(Hazardous Substances Data)

71027-02-6 Usage

Uses

Used in Medicinal Chemistry Research:
4,4,4-Trifluorocrotonic acid is used as a research compound for the development of new pharmaceuticals. Its unique structure and properties make it a valuable building block in the synthesis of various drug molecules.
Used in Organic Synthesis:
4,4,4-Trifluorocrotonic acid is used as a reagent in organic synthesis, particularly in the preparation of fluorinated compounds. Its presence in the molecule can impart specific chemical and physical properties to the final product, making it a useful intermediate in the synthesis of complex organic molecules.
Used in Fluorine Chemistry:
4,4,4-Trifluorocrotonic acid is used as a starting material in fluorine chemistry, where the introduction of fluorine atoms can significantly alter the reactivity and properties of organic compounds. This makes it an important precursor in the synthesis of fluorinated compounds with potential applications in various fields, such as pharmaceuticals, agrochemicals, and materials science.
Used in Material Science:
4,4,4-Trifluorocrotonic acid is used as a monomer in the polymerization process to create new materials with specific properties. The incorporation of fluorine atoms in the polymer backbone can lead to materials with improved thermal stability, chemical resistance, and other desirable characteristics, making them suitable for various applications in the material science field.

Check Digit Verification of cas no

The CAS Registry Mumber 71027-02-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,1,0,2 and 7 respectively; the second part has 2 digits, 0 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 71027-02:
(7*7)+(6*1)+(5*0)+(4*2)+(3*7)+(2*0)+(1*2)=86
86 % 10 = 6
So 71027-02-6 is a valid CAS Registry Number.
InChI:InChI=1/C4H3F3O2/c5-4(6,7)2-1-3(8)9/h1-2H,(H,8,9)/b2-1+

71027-02-6 Well-known Company Product Price

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  • Aldrich

  • (778060)  4,4,4-Trifluorocrotonic acid  96%

  • 71027-02-6

  • 778060-1G

  • 209.43CNY

  • Detail
  • Aldrich

  • (778060)  4,4,4-Trifluorocrotonic acid  96%

  • 71027-02-6

  • 778060-5G

  • 683.28CNY

  • Detail

71027-02-6SDS

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 (E)-4,4,4-trifluorobut-2-enoic acid

1.2 Other means of identification

Product number -
Other names 4,4,4-trifluoro-but-2-enoic 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:71027-02-6 SDS

71027-02-6Relevant articles and documents

PRODUCTION METHOD OF FLUORINE-CONTAINING UNSATURATED CARBOXYLIC ACID

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Paragraph 0293-0302, (2021/02/11)

PROBLEM TO BE SOLVED: To provide a production method of a compound of formula (4), that is, a fluorine-containing unsaturated carboxylic acid, which is industrially preferable, economical, and environmentally friendly. SOLUTION: A production method of a compound of formula (4) includes subjecting a compound of formula (3) to a reaction in the presence of a base (here Rf is a 1-4C perfluoroalkyl). SELECTED DRAWING: None COPYRIGHT: (C)2021,JPO&INPIT

BICYCLIC JAK INHIBITORS AND USES THEREOF

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Paragraph 000308, (2020/10/20)

Provided herein are compounds of Formulas (I), (II), (III), and (IV) and subformulas thereof, wherein the variables are defined herein. Also provided herein are pharmaceutical compositions comprising a compound of Formula (I), (II), (III), or (IV) and methods of using the compounds, e.g., in the treatment of immune disorders, inflammatory disorders, and cancer.

The effect of fluoromethyl groups on the diastereoselectivity in the electrophilic alkylation

Tamura, Kenji,Yamazaki, Takashi,Kitazume, Tomoya,Kubota, Toshio

, p. 918 - 930 (2007/10/03)

The effect of fluoromethyl groups on the diastereoselectivity in the electrophilic alkylation is described. In particular, the electrophilic alkylation of enolates with a trifluoromethyl group was proceeded with highly diastereofacial selectivity based on the steric and/or electrostatic effect of substituent with strong electron withdrawing.

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