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  • 783-13-1 Structure
  • Basic information

    1. Product Name: 3-[4-(Trifluoromethoxy)phenyl]acrylic acid
    2. Synonyms: TIMTEC-BB SBB002369;RARECHEM BK HW 0215;3-[4-(TRIFLUOROMETHOXY)PHENYL]ACRYLIC ACID;4-(TRIFLUOROMETHOXY)CINNAMIC ACID;4-(Trifluoromethoxy)Cinamic Acid;4-(Trifluoromethoxy)cinnamicacid96%;3-[4-(Trifluoromethoxy)phenyl]acrylic acid, 3-[4-(Trifluoromethoxy)phenyl]prop-2-enoic acid;3-(4-Trifluoromethoxyphenyl)-2-propenoic acid
    3. CAS NO:783-13-1
    4. Molecular Formula: C10H7F3O3
    5. Molecular Weight: 232.16
    6. EINECS: N/A
    7. Product Categories: Aromatic Cinnamic Acids, Esters and Derivatives
    8. Mol File: 783-13-1.mol
    9. Article Data: 6
  • Chemical Properties

    1. Melting Point: 178 °C
    2. Boiling Point: 296.6 °C at 760 mmHg
    3. Flash Point: 133.2 °C
    4. Appearance: /
    5. Density: 1.403 g/cm3
    6. Vapor Pressure: 0.000641mmHg at 25°C
    7. Refractive Index: N/A
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. PKA: 4.29±0.10(Predicted)
    11. CAS DataBase Reference: 3-[4-(Trifluoromethoxy)phenyl]acrylic acid(CAS DataBase Reference)
    12. NIST Chemistry Reference: 3-[4-(Trifluoromethoxy)phenyl]acrylic acid(783-13-1)
    13. EPA Substance Registry System: 3-[4-(Trifluoromethoxy)phenyl]acrylic acid(783-13-1)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36/37/38
    3. Safety Statements: 26-36/37/39-22
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 783-13-1(Hazardous Substances Data)

783-13-1 Usage

Description

3-[4-(Trifluoromethoxy)phenyl]acrylic acid is a chemical compound characterized by the molecular formula C10H7F3O3. It is an acrylic acid derivative featuring a phenyl group substituted with a trifluoromethoxy group. This unique structure and reactivity make it a promising candidate for various applications in organic synthesis, pharmaceutical research, and the development of new materials with specific properties. Its trifluoromethoxy group also positions it as a valuable building block for synthesizing complex organic molecules, highlighting its versatility and potential in the fields of chemistry and materials science.

Uses

Used in Organic Synthesis:
3-[4-(Trifluoromethoxy)phenyl]acrylic acid is used as a key intermediate in organic synthesis for the preparation of various complex organic molecules. Its unique structure and reactivity facilitate the formation of new chemical bonds and the synthesis of target compounds.
Used in Pharmaceutical Research:
In the pharmaceutical industry, 3-[4-(Trifluoromethoxy)phenyl]acrylic acid is utilized as a starting material or building block for the development of new drugs. Its unique structure and reactivity can be leveraged to design and synthesize bioactive molecules with potential therapeutic applications.
Used in Materials Science:
3-[4-(Trifluoromethoxy)phenyl]acrylic acid is employed in the development of new materials with specific properties. Its unique structure and reactivity can be utilized to create materials with tailored characteristics, such as improved stability, enhanced performance, or novel functionalities.
Used in the Synthesis of Complex Organic Molecules:
3-[4-(Trifluoromethoxy)phenyl]acrylic acid serves as a valuable building block for the synthesis of complex organic molecules. Its trifluoromethoxy group can be used to introduce new functional groups or modify existing ones, enabling the creation of diverse organic compounds with a wide range of applications.

Check Digit Verification of cas no

The CAS Registry Mumber 783-13-1 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 7,8 and 3 respectively; the second part has 2 digits, 1 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 783-13:
(5*7)+(4*8)+(3*3)+(2*1)+(1*3)=81
81 % 10 = 1
So 783-13-1 is a valid CAS Registry Number.
InChI:InChI=1/C10H7F3O3/c11-10(12,13)16-8-4-1-7(2-5-8)3-6-9(14)15/h1-6H,(H,14,15)/p-1/b6-3+

783-13-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(4-(Trifluoromethoxy)phenyl)acrylic acid

1.2 Other means of identification

Product number -
Other names 3-[4-(Trifluoromethoxy)phenyl]acrylic 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:783-13-1 SDS

783-13-1Relevant articles and documents

Chiral Cyclopentadienyl Iridium(III) Complexes Promote Enantioselective Cycloisomerizations Giving Fused Cyclopropanes

Dieckmann, Michael,Jang, Yun-Suk,Cramer, Nicolai

supporting information, p. 12149 - 12152 (2015/10/12)

The cyclopentadienyl (Cp) group is a very important ligand for many transition-metal complexes which have been applied in catalysis. The availability of chiral cyclopentadienyl ligands (Cpx) lags behind other ligand classes, thus hampering the investigation of enantioselective processes. We report a library of chiral CpxIrIII complexes equipped with an atropchiral Cp scaffold. A robust complexation procedure reliably provides CpxIrIII complexes with tunable counterions. In a proof-of-concept application, the iodide-bearing members are shown to be highly selective for enyne cycloisomerization reactions. The dehydropiperidine-fused cyclopropane products are formed in good yields and enantioselectivities.

Benzimidazole Modulators of VR1

-

Page/Page column 162, (2008/06/13)

The invention is directed to compounds of Formula (I): to pharmaceutical compositions containing such compounds and to methods of treatment using them.

NOVEL THIOETHER DERIVATIVES

-

Page/Page column 12, (2010/02/14)

Objects of the present invention are the compounds of formula (I) their pharmaceutically acceptable salts, enantiomeric forms, diastereoisomers and racemates, the preparation of the above compounds, pharmaceutical compositions containing them and their ma

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