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654-01-3

2,6-Difluorophenylacetonitrile is an organic compound characterized by the presence of a 2,6-difluorophenyl group attached to an acetonitrile moiety. It is a building block in the synthesis of various organic compounds and has potential applications in the pharmaceutical and chemical industries.

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  • 654-01-3 Structure

  • Basic information

    1. Product Name: 2,6-DIFLUOROPHENYLACETONITRILE
    2. Synonyms: 2,6-DIFLUOROBENZYL CYANIDE;2,6-DIFLUOROPHENYLACETONITRILE;TIMTEC-BB SBB006682;3,5-dichloro-4-fluronitrobenzene;2,6-Difluorophenylacetonitrile 98%;2,6-Difluorophenylacetonitrile98%;2,6-Difluorobenzeneacetonitrile;2,6-DIFLUOROPHENYLAC
    3. CAS NO:654-01-3
    4. Molecular Formula: C8H5F2N
    5. Molecular Weight: 153.13
    6. EINECS: 211-504-7
    7. Product Categories: Aromatic Nitriles;Benzene series;Phenyls & Phenyl-Het;Nitrile;Phenyls & Phenyl-Het;C8 to C9;Cyanides/Nitriles;Nitrogen Compounds;Aryl Fluorinated Building Blocks;Building Blocks;C7-C8;C8 to C9;Chemical Synthesis;Fluorinated Building Blocks;Nitrogen Compounds;Organic Building Blocks;Organic Fluorinated Building Blocks;Other Fluorinated Organic Building Blocks;Fluorine series
    8. Mol File: 654-01-3.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 109°C 27mm
    3. Flash Point: 128 °F
    4. Appearance: Clear colorless to slightly yellow liquid
    5. Density: 1.238 g/mL at 25 °C(lit.)
    6. Vapor Pressure: 0.19mmHg at 25°C
    7. Refractive Index: n20/D 1.481(lit.)
    8. Storage Temp.: Flammables area
    9. Solubility: N/A
    10. BRN: 2614807
    11. CAS DataBase Reference: 2,6-DIFLUOROPHENYLACETONITRILE(CAS DataBase Reference)
    12. NIST Chemistry Reference: 2,6-DIFLUOROPHENYLACETONITRILE(654-01-3)
    13. EPA Substance Registry System: 2,6-DIFLUOROPHENYLACETONITRILE(654-01-3)

  • Safety Data

    1. Hazard Codes: Xn,T
    2. Statements: 10-20/21/22-36/37/38-10/20/21/22
    3. Safety Statements: 16-26-27-36/37/39-16/36/37
    4. RIDADR: UN 1993 3/PG 3
    5. WGK Germany: 3
    6. RTECS:
    7. HazardClass: 6.1
    8. PackingGroup: III
    9. Hazardous Substances Data: 654-01-3(Hazardous Substances Data)

654-01-3 Usage

Uses

Used in Pharmaceutical Industry:
2,6-Difluorophenylacetonitrile is used as a synthetic intermediate for the production of pharmaceutical compounds. Its unique structure allows for the development of new drugs with potential therapeutic benefits.
Used in Chemical Industry:
2,6-Difluorophenylacetonitrile is used as a chemical intermediate in the synthesis of various organic compounds, including ethyl 4-(2,6-difluorophenyl)-2-ethyl-3-oxobutyrate. 2,6-DIFLUOROPHENYLACETONITRILE has potential applications in the development of new materials and chemical products.

Check Digit Verification of cas no

The CAS Registry Mumber 654-01-3 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,5 and 4 respectively; the second part has 2 digits, 0 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 654-01:
(5*6)+(4*5)+(3*4)+(2*0)+(1*1)=63
63 % 10 = 3
So 654-01-3 is a valid CAS Registry Number.
InChI:InChI=1/C8H5F2N/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4H2

654-01-3 Well-known Company Product Price

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  • (Code)Product description
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  • Alfa Aesar

  • (A19987)  2,6-Difluorophenylacetonitrile, 98%   

  • 654-01-3

  • 1g

  • 395.0CNY

  • Detail

  • Alfa Aesar

  • (A19987)  2,6-Difluorophenylacetonitrile, 98%   

  • 654-01-3

  • 5g

  • 1405.0CNY

  • Detail

654-01-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,6-Difluorophenylacetonitrile

1.2 Other means of identification

Product number -
Other names 2-(2,6-difluorophenyl)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:654-01-3 SDS

654-01-3Relevant articles and documents

Optimization of benzyloxazoles as non-nucleoside inhibitors of HIV-1 reverse transcriptase to enhance Y181C potency

Bollini, Mariela,Gallardo-Macias, Ricardo,Spasov, Krasimir A.,Tirado-Rives, Julian,Anderson, Karen S.,Jorgensen, William L.

, p. 1110 - 1113 (2013/03/14)

Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved activity towards Tyr181Cys containing variants was pursued with the assistance of free energy perturbation (FEP) calculations. Optimization of the 4-R substituent in 1 led to ethyl and isopropyl analogs 1e and 1f with 1-7 nM potency towards both the wild-type virus and a Tyr181C variant.

3-benzyl-1,2,4-triazolo[4,3-α] pyrazines

-

, (2008/06/13)

3-benzyl-1,2,4-triazolo [4,3-α] pyrazines are prepared. They are useful as anticonvulsants.

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