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4-IODO-1-METHYL-1H-IMIDAZOLE-5-CARBOXALDEHYDE is a potentially hazardous organic compound with the molecular formula C6H6IN2O. It is a derivative of 1-methylimidazole and is characterized by its strong odor and potential to irritate the eyes, skin, and respiratory system. 4-IODO-1-METHYL-1H-IMIDAZOLE-5-CARBOXALDEHYDE is primarily used in chemical research and synthesis, particularly as an intermediate in the production of pharmaceuticals and agrochemicals.

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  • 189014-13-9 Structure
  • Basic information

    1. Product Name: 4-IODO-1-METHYL-1H-IMIDAZOLE-5-CARBOXALDEHYDE
    2. Synonyms: 4-IODO-1-METHYL-1H-IMIDAZOLE-5-CARBOXALDEHYDE;4-IODO-1-METHYLIMIDAZOLE-5-CARBOXALDEHYDE;4-iodo-1-methyl-1H-imidazole-5-carbaldehyde
    3. CAS NO:189014-13-9
    4. Molecular Formula: C5H5IN2O
    5. Molecular Weight: 236.01
    6. EINECS: N/A
    7. Product Categories: Aldehydes;blocks;Imidazoles;Iodides;Imidazol&Benzimidazole
    8. Mol File: 189014-13-9.mol
  • Chemical Properties

    1. Melting Point: 100-104
    2. Boiling Point: 388.9 °C at 760 mmHg
    3. Flash Point: 189 °C
    4. Appearance: /
    5. Density: 2.07 g/cm3
    6. Vapor Pressure: 2.96E-06mmHg at 25°C
    7. Refractive Index: 1.687
    8. Storage Temp.: Keep Cold
    9. Solubility: N/A
    10. CAS DataBase Reference: 4-IODO-1-METHYL-1H-IMIDAZOLE-5-CARBOXALDEHYDE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4-IODO-1-METHYL-1H-IMIDAZOLE-5-CARBOXALDEHYDE(189014-13-9)
    12. EPA Substance Registry System: 4-IODO-1-METHYL-1H-IMIDAZOLE-5-CARBOXALDEHYDE(189014-13-9)
  • Safety Data

    1. Hazard Codes: Xi
    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: 189014-13-9(Hazardous Substances Data)

189014-13-9 Usage

Uses

Used in Pharmaceutical Industry:
4-IODO-1-METHYL-1H-IMIDAZOLE-5-CARBOXALDEHYDE is used as an intermediate in the synthesis of various pharmaceuticals. Its unique chemical structure allows it to be incorporated into the development of new drugs, potentially leading to the discovery of novel therapeutic agents.
Used in Agrochemical Industry:
In the agrochemical industry, 4-IODO-1-METHYL-1H-IMIDAZOLE-5-CARBOXALDEHYDE serves as an intermediate in the production of various agrochemicals. Its application in this field contributes to the development of new pesticides, herbicides, and other agricultural chemicals that can improve crop yields and protect plants from pests and diseases.
Used in Chemical Research:
4-IODO-1-METHYL-1H-IMIDAZOLE-5-CARBOXALDEHYDE is utilized in chemical research to explore its properties and potential applications. Researchers can use this compound to investigate its reactivity, stability, and interactions with other molecules, which can lead to a better understanding of its role in various chemical processes.
Safety Precautions:
Due to its potentially hazardous nature, 4-IODO-1-METHYL-1H-IMIDAZOLE-5-CARBOXALDEHYDE should be handled with caution. Proper safety procedures and guidelines must be followed to minimize the risk of exposure to its strong odor and potential irritation to the eyes, skin, and respiratory system. This includes wearing appropriate personal protective equipment, working in well-ventilated areas, and disposing of the compound according to established safety protocols.

Check Digit Verification of cas no

The CAS Registry Mumber 189014-13-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,8,9,0,1 and 4 respectively; the second part has 2 digits, 1 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 189014-13:
(8*1)+(7*8)+(6*9)+(5*0)+(4*1)+(3*4)+(2*1)+(1*3)=139
139 % 10 = 9
So 189014-13-9 is a valid CAS Registry Number.
InChI:InChI=1/C5H5IN2O/c1-8-3-7-5(6)4(8)2-9/h2-3H,1H3

189014-13-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Iodo-1-methyl-1H-imidazole-5-carboxaldehyde

1.2 Other means of identification

Product number -
Other names 5-iodo-3-methylimidazole-4-carbaldehyde

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:189014-13-9 SDS

189014-13-9Downstream Products

189014-13-9Relevant articles and documents

Total synthesis of the leucetta-derived alkaloid calcaridine a

Koswatta, Panduka B.,Sivappa, Rasapalli,Dias, H. V. Rasika,Lovely, Carl J.

experimental part, p. 2970 - 2982 (2010/03/25)

A biomimetically guided total synthesis of the Leucettaderived aminoimidazole alkaloid, calcaridine A, is described. The synthesis relies on position selective metalations of a 4,5-diiodoimidazole derivative to provide a tetrasubstituted imidazole. Subjec

Total synthesis of (±)-calcaridine A and (±)-epi-calcaridine A

Koswatta, Panduka B.,Sivappa, Rasapalli,Rasika Dias,Lovely, Carl J.

supporting information; experimental part, p. 5055 - 5058 (2009/05/31)

(Chemical Equation Presented) The first total synthesis of the Leucetta alkaloid calcaridine A is described based on a biosynthetic postulate. Application of an oxidative rearrangement of a 4,5-disubstituted imidazole leads to the formation of both calcaridine A and epi-calcaridine A. An X-ray crystal structure determination on the latter has allowed the assignment of the relative configuration of the epimeric natural product and calcaridine A by extrapolation.

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