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2-Trifluoromethylbenzoylacetonitrile is a highly specialized chemical compound that belongs to the category of organic fluorides. It is characterized by the presence of a trifluoromethyl group and a benzoylacetonitrile group, which contribute to its unique properties in the field of organic chemistry. 2-TRIFLUOROMETHYLBENZOYLACETONITRILE is primarily recognized for its potential applications in pharmaceuticals and as an intermediate in various chemical reactions.

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  • 40018-10-8 Structure
  • Basic information

    1. Product Name: 2-TRIFLUOROMETHYLBENZOYLACETONITRILE
    2. Synonyms: 2-TRIFLUOROMETHYLBENZOYLACETONITRILE;2-TRIFUOROMETHYLBENZOYLACETONITRILE;3-Oxo-3-(2-trifluoromethyl-phenyl)-propionitrile;b-Oxo-2-(trifluoromethyl)-benzenepropanenitrile
    3. CAS NO:40018-10-8
    4. Molecular Formula: C10H6F3NO
    5. Molecular Weight: 213.16
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 40018-10-8.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 308.9°C at 760 mmHg
    3. Flash Point: 140.6°C
    4. Appearance: /
    5. Density: 1.296g/cm3
    6. Vapor Pressure: 0.000662mmHg at 25°C
    7. Refractive Index: 1.469
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 2-TRIFLUOROMETHYLBENZOYLACETONITRILE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2-TRIFLUOROMETHYLBENZOYLACETONITRILE(40018-10-8)
    12. EPA Substance Registry System: 2-TRIFLUOROMETHYLBENZOYLACETONITRILE(40018-10-8)
  • Safety Data

    1. Hazard Codes: T
    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: 40018-10-8(Hazardous Substances Data)

40018-10-8 Usage

Uses

Used in Pharmaceutical Industry:
2-Trifluoromethylbenzoylacetonitrile is used as a chemical intermediate for the synthesis of pharmaceutical compounds. Its unique structure allows it to be a key component in the development of new drugs, potentially leading to advancements in medicine.
Used in Organic Chemistry Research:
2-Trifluoromethylbenzoylacetonitrile is used as a research compound in organic chemistry, where its properties and reactivity are studied. This can lead to a better understanding of the behavior of organic fluorides and their potential applications in various chemical processes.
Used in Chemical Reactions:
2-Trifluoromethylbenzoylacetonitrile is used as a reactant in various chemical reactions, where its trifluoromethyl and benzoylacetonitrile groups can participate in a range of transformations. This can result in the formation of new compounds with different properties and potential applications.

Check Digit Verification of cas no

The CAS Registry Mumber 40018-10-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,0,0,1 and 8 respectively; the second part has 2 digits, 1 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 40018-10:
(7*4)+(6*0)+(5*0)+(4*1)+(3*8)+(2*1)+(1*0)=58
58 % 10 = 8
So 40018-10-8 is a valid CAS Registry Number.
InChI:InChI=1/C10H6F3NO/c11-10(12,13)8-4-2-1-3-7(8)9(15)5-6-14/h1-4H,5H2

40018-10-8SDS

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 3-Oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile

1.2 Other means of identification

Product number -
Other names o-trifluoromethylphenacylcyanide

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:40018-10-8 SDS

40018-10-8Relevant articles and documents

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Paragraph 0224, (2020/11/30)

Compounds useful as modulators of AhR, methods of making such compounds, pharmaceutical compositions and medicaments comprising such compounds, and methods of using such compounds to treat, prevent or ameliorate AhR-mediated disorders such as cancers and inflammatory diseases are provided.

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, (2010/07/04)

The invention is directed to compounds of formula (1) and pharmaceutically acceptable salts thereof, methods for the preparation thereof, and methods of use thereof.

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Page/Page column 31, (2008/12/05)

The present invention relates to compounds of formula (I) and the use of these compounds as pharmaceuticals, e.g. in preventing or treating a CXCR2 receptor mediated condition or disease.

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