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1H-1,2,4-Triazole, 3-iodois a halogenated derivative of 1,2,4-triazole, a five-membered heterocyclic compound with the molecular formula C2H2IN3. It is primarily used in organic synthesis as a building block for the preparation of pharmaceuticals and agrochemicals, as well as a ligand in coordination chemistry and a precursor for the synthesis of various other functionalized triazole derivatives. Due to its halogenated nature, it may possess potential hazards and should be handled with caution in a laboratory setting.

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  • 7411-20-3 Structure
  • Basic information

    1. Product Name: 1H-1,2,4-Triazole, 3-iodo-
    2. Synonyms: 3-Iodo-IH-1,2,4-triazole;1H-1,2,4-Triazole,5-iodo;1H-1,2,4-Triazole, 3-iodo-
    3. CAS NO:7411-20-3
    4. Molecular Formula: C2H2IN3
    5. Molecular Weight: 194.96
    6. EINECS: N/A
    7. Product Categories: API intermediates
    8. Mol File: 7411-20-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 319.6 °C at 760 mmHg
    3. Flash Point: 147.1 °C
    4. Appearance: /
    5. Density: 2.555 g/cm3
    6. Refractive Index: N/A
    7. Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
    8. Solubility: N/A
    9. PKA: 8.08±0.20(Predicted)
    10. CAS DataBase Reference: 1H-1,2,4-Triazole, 3-iodo-(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1H-1,2,4-Triazole, 3-iodo-(7411-20-3)
    12. EPA Substance Registry System: 1H-1,2,4-Triazole, 3-iodo-(7411-20-3)
  • 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: 7411-20-3(Hazardous Substances Data)

7411-20-3 Usage

Uses

Used in Pharmaceutical Industry:
1H-1,2,4-Triazole, 3-iodois used as a building block for the synthesis of pharmaceuticals, contributing to the development of new drugs with potential therapeutic applications.
Used in Agrochemical Industry:
1H-1,2,4-Triazole, 3-iodois used as a building block for the synthesis of agrochemicals, aiding in the creation of new compounds for agricultural applications such as pesticides and herbicides.
Used in Coordination Chemistry:
1H-1,2,4-Triazole, 3-iodois used as a ligand in coordination chemistry, playing a role in the formation of metal complexes with potential applications in various fields, including catalysis and materials science.
Used in Synthesis of Functionalized Triazole Derivatives:
1H-1,2,4-Triazole, 3-iodois used as a precursor for the synthesis of various functionalized triazole derivatives, which can be further utilized in the development of new compounds with diverse applications in different industries.

Check Digit Verification of cas no

The CAS Registry Mumber 7411-20-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 7,4,1 and 1 respectively; the second part has 2 digits, 2 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 7411-20:
(6*7)+(5*4)+(4*1)+(3*1)+(2*2)+(1*0)=73
73 % 10 = 3
So 7411-20-3 is a valid CAS Registry Number.

7411-20-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Iodo-1H-1,2,4-triazole

1.2 Other means of identification

Product number -
Other names 5-iodo-1H-1,2,4-triazole

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:7411-20-3 SDS

7411-20-3Upstream product

7411-20-3Downstream Products

7411-20-3Relevant articles and documents

Micelle Activated Reactions I. Micelle Activated Iodination and Partial Dehalogenation of Pyrazoles and 1,2,4-Triazoles

Miethchen, R.,Randow, R.,Listemann, R.,Hildebrandt, J.,Kohlheim, K.

, p. 799 - 805 (2007/10/02)

A method is described to iodinate pyrazole, substituted pyrazoles or 1,2,4-triazole with iodine or iodine chloride in aqueous alkaline in the presence of an anionic surfactant. 4-Iodo- (2a), 4-iodo-3(5)-methyl- (2b), 3(5),4-diiodo- (3a), 3(5),4-diiodo-5(3)-methyl- (3b), and 3,4,5-triiodo-pyrazole (3d) as soon as 4-iodo-pyrazole-3(5)-carboxylic acid (2c), and 3(5)-iodo-1,2,4-triazole (5) were prepared.Anhydrous hydrogen fluoride or triethylamine trishydrofluoride were found to be a suitable agent to effect a regioselective partial dehalogenation of 3b, 3d and 3,5-dibromo-1,2,4-triazole (7).We prepared 3(5)-iodo-5(3)-methyl-pyrazole (6b), 3,5-diiodo-pyrazole (6d) and 3(5)-bromo-1,2,4-triazole (8) on this way.

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