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3,5-DI(TRIFLUOROMETHYL)BENZENE-1-CARBOTHIOAMIDE, with the molecular formula C9H7F6NS, is a thioamide derivative of benzene featuring two trifluoromethyl groups at the 3 and 5 positions on the benzene ring. This chemical compound is recognized for its potential as a building block in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds, making it a significant entity in medicinal chemistry and organic chemistry research and development.

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  • 317319-15-6 Structure
  • Basic information

    1. Product Name: 3,5-DI(TRIFLUOROMETHYL)BENZENE-1-CARBOTHIOAMIDE
    2. Synonyms: 3,5-DI(TRIFLUOROMETHYL)BENZENE-1-CARBOTHIOAMIDE;3,5-Bis(trifluoromethyl)thiobenzamide, 97%;3,5-bis(trifluoroMethyl)benzothioaMide;Benzenecarbothioamide, 3,5-bis(trifluoromethyl)-;3,5-Bis(trifluoromethyl)benzenecarbothioamide
    3. CAS NO:317319-15-6
    4. Molecular Formula: C9H5F6NS
    5. Molecular Weight: 273.2
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 317319-15-6.mol
  • Chemical Properties

    1. Melting Point: 113-115°C
    2. Boiling Point: 241.2°Cat760mmHg
    3. Flash Point: 99.7°C
    4. Appearance: /
    5. Density: 1.492g/cm3
    6. Vapor Pressure: 0.0363mmHg at 25°C
    7. Refractive Index: 1.484
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 11.95±0.29(Predicted)
    11. CAS DataBase Reference: 3,5-DI(TRIFLUOROMETHYL)BENZENE-1-CARBOTHIOAMIDE(CAS DataBase Reference)
    12. NIST Chemistry Reference: 3,5-DI(TRIFLUOROMETHYL)BENZENE-1-CARBOTHIOAMIDE(317319-15-6)
    13. EPA Substance Registry System: 3,5-DI(TRIFLUOROMETHYL)BENZENE-1-CARBOTHIOAMIDE(317319-15-6)
  • 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: 317319-15-6(Hazardous Substances Data)

317319-15-6 Usage

Uses

Used in Pharmaceutical Industry:
3,5-DI(TRIFLUOROMETHYL)BENZENE-1-CARBOTHIOAMIDE is used as a synthetic intermediate for the development of various pharmaceuticals, leveraging its unique chemical structure to contribute to the creation of novel drug candidates for the treatment of a range of diseases.
Used in Agrochemical Industry:
In the agrochemical sector, 3,5-DI(TRIFLUOROMETHYL)BENZENE-1-CARBOTHIOAMIDE serves as a key component in the synthesis of compounds designed to protect crops and enhance agricultural productivity, capitalizing on its reactivity and structural attributes.
Used in Organic Chemistry Research:
3,5-DI(TRIFLUOROMETHYL)BENZENE-1-CARBOTHIOAMIDE is utilized as a research tool in organic chemistry, facilitating the exploration of new reaction pathways and the discovery of innovative synthetic methods, thanks to its distinctive properties and reactivity.

Check Digit Verification of cas no

The CAS Registry Mumber 317319-15-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,1,7,3,1 and 9 respectively; the second part has 2 digits, 1 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 317319-15:
(8*3)+(7*1)+(6*7)+(5*3)+(4*1)+(3*9)+(2*1)+(1*5)=126
126 % 10 = 6
So 317319-15-6 is a valid CAS Registry Number.
InChI:InChI=1/C9H5F6NS/c10-8(11,12)5-1-4(7(16)17)2-6(3-5)9(13,14)15/h1-3H,(H2,16,17)

317319-15-6 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
  • Packaging
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  • Detail
  • Alfa Aesar

  • (H26809)  3,5-Bis(trifluoromethyl)thiobenzamide, 97%   

  • 317319-15-6

  • 250mg

  • 472.0CNY

  • Detail
  • Alfa Aesar

  • (H26809)  3,5-Bis(trifluoromethyl)thiobenzamide, 97%   

  • 317319-15-6

  • 1g

  • 1312.0CNY

  • Detail

317319-15-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 3,5-bis(trifluoromethyl)benzenecarbothioamide

1.2 Other means of identification

Product number -
Other names HMS551E18

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:317319-15-6 SDS

317319-15-6Relevant articles and documents

Acryloyl group-containing nuclear transport modulator and uses thereof

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Paragraph 0153-0156, (2020/09/12)

The invention relates to a novel acryloyl-containing compound as well as a preparation method and application thereof. Specifically, the invention relates to an acryloyl-containing compound as shown in a formula (1) and a preparation method thereof, and a

NUCLEAR TRANSPORT MODULATORS AND USES THEREOF

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Paragraph 00318, (2015/01/07)

The present invention relates to compounds of Structural Formulas (I), (II) and (III): or their pharmaceutically acceptable salts; pharmaceutical compositions comprising the compounds of Structural Formulas (I), (II) and (III); and methods of using said compounds, salts and compositions in the treatment of various disorders associated with CRMl activity. The values for the variables in Structural Formulas (I), (II) and (III) are as described and defined herein.

HYDRAZIDE CONTAINING NUCLEAR TRANSPORT MODULATORS AND USES THEREOF

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Page/Page column 83-84, (2013/03/26)

The invention generally relates to nuclear transport modulators, e.g., CRM1 inhibitors, and more particularly to a compound represented by structural formula (I): or a pharmaceutically acceptable salt thereof, wherein the values and alternative values for the variables are as defined and described herein. The invention also includes the synthesis and use of a compound of structural formula I, or a pharmaceutically acceptable salt or composition thereof, e.g., in the treatment, modulation and/or prevention of physiological conditions associated with CRM1 activity.

NUCLEAR TRANSPORT MODULATORS AND USES THEREOF

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Paragraph 00261, (2013/12/03)

The present invention relates to compounds of formula I: and pharmaceutically acceptable salts thereof, pharmaceutical compositions comprising the compounds of formula I, and methods of using said compounds, salts and compositions in the treatment of various disorders associated with CRM1 activity.

NUCLEAR TRANSPORT MODULATIORS AND USES THEREOF

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Page/Page column 275-276, (2011/10/03)

The invention generally relates to the field of nuclear transport modulators, e.g., CRM1 inhibitors, and more particularly to new substituted-heterocyclic azole compounds, the synthesis and use of these compounds and their pharmaceutical compositions, e.g

2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS

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Page/Page column 105, (2010/11/28)

The invention encompasses compounds of Formula I or pharmaceutically acceptable salts thereof, which are modulators of the CXCR3 chemokine receptor function useful for the treatment or prevention of pathogenic inflammatory processes, autoimmune diseases or graft rejection processes. Methods of use and pharmaceutical compositions are also encompassed.

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