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1,4,6-Triazaindene, also known as TAI, is a heterocyclic compound with the molecular formula C7H5N3. It is a yellowish solid that is sparingly soluble in water and most organic solvents. 1,4,6-Triazaindene is recognized for its ability to coordinate with metal ions, making it a versatile ligand in organometallic chemistry and catalysis. Its applications extend to the production of OLEDs (organic light-emitting diodes) and other organic electronic devices, as well as in the synthesis of pharmaceuticals and other organic compounds. Furthermore, 1,4,6-Triazaindene holds promise in materials science for the development of new functional materials and polymers.

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  • 272-50-4 Structure
  • Basic information

    1. Product Name: 1,4,6-Triazaindene
    2. Synonyms: 1,4,6-Triazaindene;5H-Pyrrolo[3,2-d]pyrimidine (7CI,8CI,9CI);5H-Pyrrolo[3,2-d]pyriMidi...
    3. CAS NO:272-50-4
    4. Molecular Formula: C6H5N3
    5. Molecular Weight: 119.124
    6. EINECS: N/A
    7. Product Categories: PYRIMIDINE;Heterocycles series;Heterocycle-Pyrimidine series
    8. Mol File: 272-50-4.mol
  • Chemical Properties

    1. Melting Point: 175 °C (decomp)
    2. Boiling Point: 288.3 °C at 760 mmHg
    3. Flash Point: 141.8 °C
    4. Appearance: /
    5. Density: 1.348 g/cm3
    6. Vapor Pressure: 0.00409mmHg at 25°C
    7. Refractive Index: 1.715
    8. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    9. Solubility: N/A
    10. PKA: 13.16±0.10(Predicted)
    11. CAS DataBase Reference: 1,4,6-Triazaindene(CAS DataBase Reference)
    12. NIST Chemistry Reference: 1,4,6-Triazaindene(272-50-4)
    13. EPA Substance Registry System: 1,4,6-Triazaindene(272-50-4)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 272-50-4(Hazardous Substances Data)

272-50-4 Usage

Uses

Used in Organometallic Chemistry and Catalysis:
1,4,6-Triazaindene is used as a ligand for its ability to coordinate with metal ions, which is crucial in organometallic chemistry and catalysis. This coordination capability enhances the reactivity and selectivity of catalytic processes.
Used in the Production of OLEDs and Organic Electronic Devices:
1,4,6-Triazaindene is utilized as a component in the manufacturing of OLEDs and other organic electronic devices due to its electronic properties, contributing to the efficiency and performance of these devices.
Used in Pharmaceutical Synthesis:
1,4,6-Triazaindene is employed as an intermediate in the synthesis of various pharmaceuticals, leveraging its reactivity and structural features to produce desired medicinal compounds.
Used in Materials Science:
1,4,6-Triazaindene is used in the field of materials science for the development of new functional materials and polymers, where its unique properties can be harnessed to create innovative materials with specific applications.

Check Digit Verification of cas no

The CAS Registry Mumber 272-50-4 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 2,7 and 2 respectively; the second part has 2 digits, 5 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 272-50:
(5*2)+(4*7)+(3*2)+(2*5)+(1*0)=54
54 % 10 = 4
So 272-50-4 is a valid CAS Registry Number.
InChI:InChI=1/C6H5N3/c1-2-8-6-3-7-4-9-5(1)6/h1-4,8H

272-50-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1,4,6-Triazaindene

1.2 Other means of identification

Product number -
Other names 9-Desazapurine

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:272-50-4 SDS

272-50-4Downstream Products

272-50-4Relevant articles and documents

N-CONTAINING HETEROCYCLIC COMPOUNDS

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Page/Page column 99, (2009/06/27)

The present invention relates to N-containing heterocyclic compounds that are inhibitors of protein kinases including JAK kinases. In particular, the compounds are selective for JAK1, JAK2, JAK3 or TYK2 kinases and combinations thereof such as JAK1 and JAK2. The kinase inhibitors can be used in the treatment of kinase associated diseases such as immunological and inflammatory diseases including organ transplants; hyperproliferative diseases including cancer and myeloproliferative diseases; viral diseases; metabolic diseases; and vascular diseases.

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