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Benzeneacetonitrile, 4-fluoro-2-methyl(9CI) is a chemical compound characterized by the molecular formula C9H8FN. It is an acetonitrile derivative featuring a benzene ring, a fluorine atom, and a methyl group attached to it. Benzeneacetonitrile, 4-fluoro-2-methyl(9CI) is predominantly utilized in the realm of chemical research and manufacturing, serving as a crucial intermediate in the synthesis of pharmaceuticals and agrochemicals.

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  • 80141-93-1 Structure
  • Basic information

    1. Product Name: Benzeneacetonitrile, 4-fluoro-2-methyl- (9CI)
    2. Synonyms: Benzeneacetonitrile, 4-fluoro-2-methyl- (9CI)
    3. CAS NO:80141-93-1
    4. Molecular Formula: C9H8FN
    5. Molecular Weight: 149.1649232
    6. EINECS: N/A
    7. Product Categories: HALIDE
    8. Mol File: 80141-93-1.mol
  • Chemical Properties

    1. Melting Point: 23-28℃
    2. Boiling Point: 246.6°C at 760 mmHg
    3. Flash Point: 100.3°C
    4. Appearance: /
    5. Density: 1.095g/cm3
    6. Vapor Pressure: 0.0268mmHg at 25°C
    7. Refractive Index: 1.507
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: Benzeneacetonitrile, 4-fluoro-2-methyl- (9CI)(CAS DataBase Reference)
    11. NIST Chemistry Reference: Benzeneacetonitrile, 4-fluoro-2-methyl- (9CI)(80141-93-1)
    12. EPA Substance Registry System: Benzeneacetonitrile, 4-fluoro-2-methyl- (9CI)(80141-93-1)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: 6.1
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 80141-93-1(Hazardous Substances Data)

80141-93-1 Usage

Uses

Used in Chemical Research and Manufacturing:
Benzeneacetonitrile, 4-fluoro-2-methyl(9CI) is employed as a key intermediate in the synthesis of various chemical compounds. Its unique structure allows for versatile reactions and modifications, making it a valuable component in the development of new materials and products.
Used in Pharmaceutical Synthesis:
In the pharmaceutical industry, Benzeneacetonitrile, 4-fluoro-2-methyl(9CI) is used as an intermediate for the production of various drugs. Its presence in the molecular structure can impart specific properties to the final product, such as enhanced solubility, stability, or bioavailability.
Used in Agrochemical Synthesis:
Similarly, in the agrochemical sector, Benzeneacetonitrile, 4-fluoro-2-methyl(9CI) serves as an intermediate in the synthesis of pesticides, herbicides, and other crop protection agents. Its incorporation into these compounds can contribute to improved efficacy, selectivity, or environmental safety.
Safety Precautions:

Check Digit Verification of cas no

The CAS Registry Mumber 80141-93-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,0,1,4 and 1 respectively; the second part has 2 digits, 9 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 80141-93:
(7*8)+(6*0)+(5*1)+(4*4)+(3*1)+(2*9)+(1*3)=101
101 % 10 = 1
So 80141-93-1 is a valid CAS Registry Number.
InChI:InChI=1/C9H8FN/c1-7-6-9(10)3-2-8(7)4-5-11/h2-3,6H,4H2,1H3

80141-93-1 Well-known Company Product Price

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  • Alfa Aesar

  • (H32892)  4-Fluoro-2-methylphenylacetonitrile, 98%   

  • 80141-93-1

  • 1g

  • 652.0CNY

  • Detail
  • Alfa Aesar

  • (H32892)  4-Fluoro-2-methylphenylacetonitrile, 98%   

  • 80141-93-1

  • 5g

  • 2181.0CNY

  • Detail

80141-93-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(4-Fluoro-2-methylphenyl)acetonitrile

1.2 Other means of identification

Product number -
Other names 2-(4-fluoro-2-methylphenyl)acetonitrile

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:80141-93-1 SDS

80141-93-1Upstream product

80141-93-1Downstream Products

80141-93-1Relevant articles and documents

1-(Cyclohexyl)-4-aryl-4-piperidinecarboxylic acid derivatives

-

, (2008/06/13)

Novel 1-(cyclohexyl)-4-aryl-4-piperidinecarboxylic acid derivatives, bearing in the 4-position of the cyclohexyl ring a cyano group and an aryl moiety, said compounds displaying useful antihistaminic properties.

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