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4-NITROPHENOXYACETONITRILE, a nitroaromatic compound with the chemical formula C8H6N2O4, is a pale yellow solid characterized by a molecular weight of 194.15 g/mol. It serves as a versatile intermediate in various chemical syntheses, particularly in the pharmaceutical and agrochemical industries, as well as in the production of dyes and organic synthesis. Due to its potential health and environmental risks, 4-NITROPHENOXYACETONITRILE is classified as a hazardous chemical, necessitating careful handling and proper safety measures during its use.

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  • 33901-46-1 Structure
  • Basic information

    1. Product Name: 4-NITROPHENOXYACETONITRILE
    2. Synonyms: 4-NITROPHENOXYACETONITRILE;BUTTPARK 48\04-12;4-Nitrophenoxyacetonitrile,97%;2-(4-nitrophenoxy)acetonitrile;2-(4-nitrophenoxy)ethanenitrile
    3. CAS NO:33901-46-1
    4. Molecular Formula: C8H6N2O3
    5. Molecular Weight: 178.14
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 33901-46-1.mol
  • Chemical Properties

    1. Melting Point: 74-76°C
    2. Boiling Point: 363.9 °C at 760 mmHg
    3. Flash Point: 173.9 °C
    4. Appearance: /
    5. Density: 1.317g/cm3
    6. Vapor Pressure: 1.75E-05mmHg at 25°C
    7. Refractive Index: 1.564
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. BRN: 2557915
    11. CAS DataBase Reference: 4-NITROPHENOXYACETONITRILE(CAS DataBase Reference)
    12. NIST Chemistry Reference: 4-NITROPHENOXYACETONITRILE(33901-46-1)
    13. EPA Substance Registry System: 4-NITROPHENOXYACETONITRILE(33901-46-1)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: 20/22
    3. Safety Statements: 22-36/37/39
    4. RIDADR: 3276
    5. WGK Germany:
    6. RTECS:
    7. HazardClass: 6.1
    8. PackingGroup: III
    9. Hazardous Substances Data: 33901-46-1(Hazardous Substances Data)

33901-46-1 Usage

Uses

Used in Pharmaceutical Industry:
4-NITROPHENOXYACETONITRILE is used as a key intermediate in the synthesis of various pharmaceutical compounds. Its unique chemical structure allows for the development of new drugs with specific therapeutic properties, contributing to the advancement of medicine and healthcare.
Used in Agrochemical Industry:
In the agrochemical sector, 4-NITROPHENOXYACETONITRILE is utilized as an intermediate for the production of pesticides and other agrochemicals. Its involvement in the synthesis of these compounds helps to improve crop protection and yield, ensuring food security and agricultural sustainability.
Used in Dye Production:
4-NITROPHENOXYACETONITRILE is employed as a crucial component in the manufacturing process of dyes. Its chemical properties enable the creation of a wide range of colors and hues, catering to the diverse needs of various industries, such as textiles, plastics, and printing.
Used in Organic Synthesis:
As a versatile building block, 4-NITROPHENOXYACETONITRILE is used in organic synthesis for the preparation of various organic compounds. Its reactivity and functional groups make it an essential component in the synthesis of complex organic molecules, driving innovation and development in the field of organic chemistry.

Check Digit Verification of cas no

The CAS Registry Mumber 33901-46-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,3,9,0 and 1 respectively; the second part has 2 digits, 4 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 33901-46:
(7*3)+(6*3)+(5*9)+(4*0)+(3*1)+(2*4)+(1*6)=101
101 % 10 = 1
So 33901-46-1 is a valid CAS Registry Number.
InChI:InChI=1/C8H6N2O3/c9-5-6-13-8-3-1-7(2-4-8)10(11)12/h1-4H,6H2

33901-46-1 Well-known Company Product Price

  • Brand
  • (Code)Product description
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  • Alfa Aesar

  • (B20600)  4-Nitrophenoxyacetonitrile, 97%   

  • 33901-46-1

  • 1g

  • 162.0CNY

  • Detail
  • Alfa Aesar

  • (B20600)  4-Nitrophenoxyacetonitrile, 97%   

  • 33901-46-1

  • 5g

  • 666.0CNY

  • Detail

33901-46-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(4-nitrophenoxy)acetonitrile

1.2 Other means of identification

Product number -
Other names (4-nitrophenoxy)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:33901-46-1 SDS

33901-46-1Relevant articles and documents

Synthesis of aryloxyacetonitriles based on arylboronic acids with 2-bromoacetonitrile

Li, Yingmin,Guo, Mengping,Wen, Yongju,Zhou, Lanjiang,Shen, Xiuli,Kang, Yangping

supporting information, (2020/09/09)

A new and efficient protocol for the synthesis of aryloxyacetonitriles based on arylboronic acids with 2-bromoacetonitrile has been developed using eco-friendly hydrogen peroxide as oxidant under metal-free conditions. This method is compatible with arylboronic acid attached sensitive substituent and obtains desired product in moderate to good yield.

Effect of the tether length upon Truce-Smiles rearrangement reactions

Fuss, David,Wu, Yu Qi,Grossi, Michael R.,Hollett, Joshua W.,Wood, Tabitha E.

, (2017/10/06)

This report examines the effect of substrate design upon the Truce-Smiles rearrangement, an intramolecular nucleophilic aromatic substitution reaction. The length of the molecular spacer that tethers the carbanion nucleophile to the substituted benzene ri

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