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2-Quinoxalineacetonitrile is a heterocyclic chemical compound characterized by the molecular formula C11H7N3. It features a quinoxaline ring with an acetonitrile functional group attached at the 2-position, which endows it with unique structural and reactive properties. This versatile compound is widely recognized for its role as a building block in organic synthesis, particularly within the pharmaceutical industry, where it contributes to the creation of a variety of drug molecules.

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  • 14068-13-4 Structure
  • Basic information

    1. Product Name: 2-Quinoxalineacetonitrile
    2. Synonyms: 2-Quinoxalineacetonitrile;(Quinoxalin-2-yl)acetonitrile;NSC 155196
    3. CAS NO:14068-13-4
    4. Molecular Formula: C10H7N3
    5. Molecular Weight: 169.1827
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 14068-13-4.mol
  • Chemical Properties

    1. Melting Point: 116-117℃
    2. Boiling Point: 327℃
    3. Flash Point: 116℃
    4. Appearance: /
    5. Density: 1.242
    6. Vapor Pressure: 0.000209mmHg at 25°C
    7. Refractive Index: 1.651
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 2-Quinoxalineacetonitrile(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2-Quinoxalineacetonitrile(14068-13-4)
    12. EPA Substance Registry System: 2-Quinoxalineacetonitrile(14068-13-4)
  • Safety Data

    1. Hazard Codes: N/A
    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: 14068-13-4(Hazardous Substances Data)

14068-13-4 Usage

Uses

Used in Pharmaceutical Industry:
2-Quinoxalineacetonitrile is utilized as a key intermediate in the synthesis of pharmaceutical compounds due to its ability to facilitate the development of new drug molecules with potential therapeutic applications.
Used in Organic Synthesis:
As a building block in organic synthesis, 2-Quinoxalineacetonitrile is employed for the creation of diverse organic compounds, leveraging its unique structure and reactivity to produce a broad range of chemical entities.
Used in Material Science:
2-Quinoxalineacetonitrile has been investigated as a potential precursor for the synthesis of new materials and compounds, indicating its utility in various industrial fields beyond pharmaceuticals, including the development of advanced materials with specific properties.
Used in Antimicrobial Applications:
2-Quinoxalineacetonitrile has been studied for its potential biological activities, such as antibacterial and antifungal properties, suggesting its use in applications aimed at combating microbial infections.

Check Digit Verification of cas no

The CAS Registry Mumber 14068-13-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,4,0,6 and 8 respectively; the second part has 2 digits, 1 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 14068-13:
(7*1)+(6*4)+(5*0)+(4*6)+(3*8)+(2*1)+(1*3)=84
84 % 10 = 4
So 14068-13-4 is a valid CAS Registry Number.
InChI:InChI=1/C10H7N3/c11-6-5-8-7-12-9-3-1-2-4-10(9)13-8/h1-4,7H,5H2

14068-13-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-quinoxalin-2-ylacetonitrile

1.2 Other means of identification

Product number -
Other names 2-Quinoxalineacetonitrile

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:14068-13-4 SDS

14068-13-4Relevant articles and documents

Bright and Stable NIR-II J-Aggregated AIE Dibodipy-Based Fluorescent Probe for Dynamic In Vivo Bioimaging

Zhang, Qisong,Yu, Peng,Fan, Yong,Sun, Caixia,He, Haisheng,Liu, Xuan,Lu, Lingfei,Zhao, Mengyao,Zhang, Hongxin,Zhang, Fan

supporting information, p. 3967 - 3973 (2020/12/25)

Organic dyes emitting in the second near-infrared (NIR-II, 900–1700 nm) window, with high molar extinction coefficients (MEC) and quantum yields (QY) in aqueous, are essential for in vivo bioimaging and biosensing. In this work, we developed a dibodipy-based aggregation-induced emission (AIE) fluorescent probe, THPP, to meet this aim. THPP exhibits a high MEC and has intensified absorption and emission in J-aggregated state, which significantly enhance the fluorescence intensity (≈55 folds) and extend the maximal absorption/emission wavelengths to 970/1010 nm in NIR-II region. Based on the bright THPP, imaging with a high frame rate (34 frames per second) at a deep “valid penetration depth” up to 6 mm can be achieved. This enabled simultaneous and dynamic imaging of vasculatures and deep tissues. Besides, we succeeded in monitoring the respiratory rate of acute-lung-injury mice and tracing the collateral circulation process with a high frame rate.

Pyrrolopyrrole cyanine dyes: A new class of near-Infrared dyes and fluorophores

Fischer, Georg M.,Isomaki-Krondahl, Magnus,Gottker-Schnetmann, Inigo,Daltrozzo, Ewald,Zumbusch, Andreas

supporting information; experimental part, p. 4857 - 4864 (2009/12/08)

Pyrrolopyrrole cyanine (PPCy) dyes are presented as a novel class of near-infrared (NIR) chromophores, which are synthesized in a condensation reaction of diketopyrrolopyr-role with heteroarylacetonitrile compounds. Their optical properties are marked by strong and narrow-band NIR absorptions. Complexation prod-ucts with BF2 and BPh2 show strong NIR fluorescence and hardly any ab-sorption in the visible range. We syn-thesized a series of new PPCys that differ only in the heterocyclic peripheral groups of the chromophore. With this strategy, the absorption spectra can be tuned between 684 and 864 nm, while high fluorescence quantum yields are maintained. The influence of the heterocycle on the optical properties of the dyes is discussed.

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