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3-Bromo-2-fluorophenylacetonitrile is a chemical compound with the molecular formula C8H5BrFN. It is a nitrile derivative of 2-fluorophenylacetonitrile, characterized by its strong electrophilic nature. This white to off-white solid is used as an intermediate in the synthesis of various pharmaceutical and agrochemical products. Its physical properties include a melting point of around 70-80°C and a boiling point of around 265-270°C.

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  • 874285-03-7 Structure
  • Basic information

    1. Product Name: 3-Bromo-2-fluorophenylacetonitrile
    2. Synonyms: 3-Bromo-2-fluorophenylacetonitrile;2-(3-broMo-2-fluoro-phenyl)acetonitrile
    3. CAS NO:874285-03-7
    4. Molecular Formula: C8H5BrFN
    5. Molecular Weight: 214.04
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 874285-03-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 92℃/0.3mm
    3. Flash Point: >110℃
    4. Appearance: /
    5. Density: 1.589 g/mL at 25 °C
    6. Vapor Pressure: 0.00346mmHg at 25°C
    7. Refractive Index: n20/D1.551
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. CAS DataBase Reference: 3-Bromo-2-fluorophenylacetonitrile(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-Bromo-2-fluorophenylacetonitrile(874285-03-7)
    12. EPA Substance Registry System: 3-Bromo-2-fluorophenylacetonitrile(874285-03-7)
  • Safety Data

    1. Hazard Codes: T,Xi
    2. Statements: 25-36/37/38
    3. Safety Statements: 26-36
    4. RIDADR: UN 3276 6.1 / PGIII
    5. WGK Germany: 3
    6. RTECS:
    7. HazardClass: IRRITANT
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 874285-03-7(Hazardous Substances Data)

874285-03-7 Usage

Uses

Used in Pharmaceutical and Agrochemical Industries:
3-Bromo-2-fluorophenylacetonitrile is used as an intermediate for the synthesis of various pharmaceutical and agrochemical products. Its strong electrophilic nature makes it a valuable component in the development of new compounds with potential therapeutic and pesticidal properties.
Used in Organic Synthesis:
3-Bromo-2-fluorophenylacetonitrile is used as a reagent in organic synthesis for the introduction of the 3-bromo-2-fluorophenylaceto moieties. This allows for the creation of a wide range of chemical compounds with diverse applications.
Used in Asymmetric Catalysis:
3-Bromo-2-fluorophenylacetonitrile is used in the preparation of chiral ligands for asymmetric catalysis. These ligands are essential in the synthesis of enantiomerically pure compounds, which are crucial in various chemical and pharmaceutical processes.
Used in the Synthesis of Biologically Active Compounds:
3-Bromo-2-fluorophenylacetonitrile is utilized in the synthesis of various biologically active compounds. Its unique structure and reactivity contribute to the development of new molecules with potential applications in medicine, agriculture, and other fields.

Check Digit Verification of cas no

The CAS Registry Mumber 874285-03-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,7,4,2,8 and 5 respectively; the second part has 2 digits, 0 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 874285-03:
(8*8)+(7*7)+(6*4)+(5*2)+(4*8)+(3*5)+(2*0)+(1*3)=197
197 % 10 = 7
So 874285-03-7 is a valid CAS Registry Number.
InChI:InChI=1/C8H5BrFN/c9-7-3-1-2-6(4-5-11)8(7)10/h1-3H,4H2

874285-03-7 Well-known Company Product Price

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  • Alfa Aesar

  • (H32021)  3-Bromo-2-fluorophenylacetonitrile, 98%   

  • 874285-03-7

  • 250mg

  • 257.0CNY

  • Detail
  • Alfa Aesar

  • (H32021)  3-Bromo-2-fluorophenylacetonitrile, 98%   

  • 874285-03-7

  • 1g

  • 715.0CNY

  • Detail

874285-03-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Bromo-2-fluorophenylacetonitrile

1.2 Other means of identification

Product number -
Other names 2-(3-bromo-2-fluorophenyl)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:874285-03-7 SDS

874285-03-7Relevant articles and documents

PYRAZOLE DERIVATIVES AS 5-LO INHIBITORS

-

Page/Page column 86, (2009/07/03)

The invention relates to compounds of formula (I) processes for their preparation, their use as 5-lipoxygenase inhibitors and pharmaceutical compositions containing the same.

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