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5-chloro-4-iodo-2-nitroaniline is a chemical compound characterized by the molecular formula C6H4ClIN2O2. It is a derivative of nitroaniline, featuring a nitro group (-NO2) and an aniline group (-NH2), and is additionally halogenated with chlorine and iodine substituents. 5-chloro-4-iodo-2-nitroaniline is primarily utilized in organic synthesis and pharmaceutical research, serving as a building block for the creation of more complex molecules. Due to its potential hazardous properties, it is crucial to handle 5-chloro-4-iodo-2-nitroaniline with care and to store and use it in a designated laboratory environment, adhering to the necessary safety protocols.

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  • 335349-57-0 Structure
  • Basic information

    1. Product Name: 5-chloro-4-iodo-2-nitroaniline
    2. Synonyms: 5-Chloro-4-iodo-2-nitrophenylamine;5-chloro-4-iodo-2-nitroaniline;5-chloro-4-iodo-2-nitrobenzenaMine
    3. CAS NO:335349-57-0
    4. Molecular Formula: C6H4ClIN2O2
    5. Molecular Weight: 298
    6. EINECS: -0
    7. Product Categories: N/A
    8. Mol File: 335349-57-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 389.7±42.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 2.169
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C(protect from light)
    8. Solubility: N/A
    9. PKA: -2.43±0.25(Predicted)
    10. CAS DataBase Reference: 5-chloro-4-iodo-2-nitroaniline(CAS DataBase Reference)
    11. NIST Chemistry Reference: 5-chloro-4-iodo-2-nitroaniline(335349-57-0)
    12. EPA Substance Registry System: 5-chloro-4-iodo-2-nitroaniline(335349-57-0)
  • 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: 335349-57-0(Hazardous Substances Data)

335349-57-0 Usage

Uses

Used in Organic Synthesis:
5-chloro-4-iodo-2-nitroaniline is used as a building block in organic synthesis for the development of more complex molecules. Its unique structure, including the presence of halogens and the nitroaniline group, allows for various chemical reactions and modifications, contributing to the synthesis of a wide range of organic compounds.
Used in Pharmaceutical Research:
In the pharmaceutical industry, 5-chloro-4-iodo-2-nitroaniline is employed as a key intermediate in the synthesis of pharmaceuticals. Its structural features make it a valuable component in the development of new drugs, particularly those targeting specific biological pathways or mechanisms of action. 5-chloro-4-iodo-2-nitroaniline's versatility in chemical reactions facilitates the creation of diverse drug candidates with potential therapeutic applications.

Check Digit Verification of cas no

The CAS Registry Mumber 335349-57-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,3,5,3,4 and 9 respectively; the second part has 2 digits, 5 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 335349-57:
(8*3)+(7*3)+(6*5)+(5*3)+(4*4)+(3*9)+(2*5)+(1*7)=150
150 % 10 = 0
So 335349-57-0 is a valid CAS Registry Number.

335349-57-0SDS

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 5-Chloro-4-iodo-2-nitroaniline

1.2 Other means of identification

Product number -
Other names X0281

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:335349-57-0 SDS

335349-57-0Upstream product

335349-57-0Relevant articles and documents

Compound with AMPK agonistic activity and preparation and application of prodrug thereof

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Paragraph 0514; 0520-0521, (2021/10/27)

The invention relates to a compound with AMPK agonistic activity and a prodrug thereof, and as well as a preparation method and medical application of a prodrug thereof. The compound has the structure shown in the formula (I), and the prodrug of the compound has the structure shown in the formula (II), wherein each group and the substituent are as defined in the specification. The invention discloses a preparation method of the compound and application of the compound in prevention and treatment AMPK related diseases, and the AMPK related diseases include, but are not limited to, energy metabolism abnormality related diseases. Neurodegenerative diseases and inflammation-related diseases and the like.

INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR KINASES

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Paragraph 00388-00390, (2021/12/28)

Provided herein are heteroaryl inhibitors of fibroblast growth factor receptor kinases, pharmaceutical compositions comprising said compounds, and methods for using said compounds for the treatment of diseases.

Discovery of MK-8722: A Systemic, Direct Pan-Activator of AMP-Activated Protein Kinase

Feng, Danqing,Biftu, Tesfaye,Romero, F. Anthony,Kekec, Ahmet,Dropinski, James,Kassick, Andrew,Xu, Shiyao,Kurtz, Marc M.,Gollapudi, Anantha,Shao, Qing,Yang, Xiaodong,Lu, Ku,Zhou, Gaochao,Kemp, Daniel,Myers, Robert W.,Guan, Hong-Ping,Trujillo, Maria E.,Li, Cai,Weber, Ann,Sebhat, Iyassu K.

supporting information, p. 39 - 44 (2018/05/04)

5′-Adenosine monophosphate-activated protein kinase (AMPK) is a key regulator of mammalian energy homeostasis and has been implicated in mediating many of the beneficial effects of exercise and weight loss including lipid and glucose trafficking. As such,

Method for synthesizing 1,4-diiodo-2-methoxy-5-nitrobenzene

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Paragraph 0026-0028, (2017/08/27)

The invention relates to the field of organic synthesis and discloses a method for synthesizing 1,4-diiodo-2-methoxy-5-nitrobenzene. The method includes the steps that firstly, 5-chloro-2-nitroaniline reacts with N-iodosuccinimide to generate 2-chloro-4-c

SUBSTITUTED HETEROARYLBENZIMIDAZOLE COMPOUNDS

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Page/Page column 183, (2018/01/17)

The present invention covers substituted heteroarylbenzimidazole compounds of general formula (I) : in which R1, R2, R3, R4, R5, R6a and R6b are as defined herein, methods of pre

Hit-to-Lead Optimization and Discovery of 5-((5-([1,1′-Biphenyl]-4-yl)-6-chloro-1H-benzo[d]imidazol-2-yl)oxy)-2-methylbenzoic Acid (MK-3903): A Novel Class of Benzimidazole-Based Activators of AMP-Activated Protein Kinase

Lan, Ping,Romero, F. Anthony,Wodka, Dariusz,Kassick, Andrew J.,Dang, Qun,Gibson, Tony,Cashion, Daniel,Zhou, Gaochao,Chen, Yuli,Zhang, Xiaoping,Zhang, Aihua,Li, Ying,Trujillo, Maria E.,Shao, Qing,Wu, Margaret,Xu, Shiyao,He, Huaibing,Mackenna, Deidre,Staunton, Jocelyn,Chapman, Kevin T.,Weber, Ann,Sebhat, Iyassu K.,Makara, Gergely M.

, p. 9040 - 9052 (2017/11/14)

AMP-activated protein kinase (AMPK) plays an essential role as a cellular energy sensor and master regulator of metabolism in eukaryotes. Dysregulated lipid and carbohydrate metabolism resulting from insulin resistance leads to hyperglycemia, the hallmark of type 2 diabetes mellitus (T2DM). While pharmacological activation of AMPK is anticipated to improve these parameters, the discovery of selective, direct activators has proven challenging. We now describe a hit-to-lead effort resulting in the discovery of a potent and selective class of benzimidazole-based direct AMPK activators, exemplified by 5-((5-([1,1′-biphenyl]-4-yl)-6-chloro-1H-benzo[d]imidazol-2-yl)oxy)-2-methylbenzoic acid, 42 (MK-3903). Compound 42 exhibited robust target engagement in mouse liver following oral dosing, leading to improved lipid metabolism and insulin sensitization in mice.

Synthesis and biological evaluation of novel 2,3-dihydro-1H-1,5- benzodiazepin-2-ones; Potential imaging agents of the metabotropic glutamate 2 receptor

Gilfillan, Lynne,Blair, Adele,Morris, Brian J.,Pratt, Judith A.,Schweiger, Lutz,Pimlott, Sally,Sutherland, Andrew

supporting information, p. 1118 - 1123 (2013/07/26)

A focused library of novel 2,3-dihydro-1H-1,5-benzodiazepin-2-ones containing sites for 11C-, 18F- and 123I- labelling have been prepared and evaluated against membrane expressing human recombinant metabotropic glutamate 2 receptor (mGluR2). The compounds were found to be non-competitive antagonists with nanomolar affinity. HPLC evaluation of the physiochemical properties of these compounds identified two candidates for PET and SPECT imaging of mGluR2.

PARASITICIDAL COMPOSITIONS COMPRISING BENZIMIDAZOLE DERIVATIVES, METHODS AND USES THEREOF

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Paragraph 0148; 0150; 0151, (2013/11/05)

The invention relates to oral, topical or injectable compositions for combating liver fluke parasites in mammals, comprising at least one benzimidazole derivative active agent. The invention also provides for an improved method for eradicating and controlling liver fluke parasite infections and infestations in a mammal comprising administering the compositions of the invention to the mammal in need thereof.

PHOSPHOGLYCERATE KINASE INHIBITORS

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Page/Page column 60, (2012/04/23)

Disclosed are compounds of formula (I) or pharmaceutical acceptable salts thereof, wherein R1, R2, R3 and R4 are as defined in the description. Disclosed are also the methods of making said compounds, and compositions containing said compounds which are useful for inhibiting kinases such as phosphoglycerate kinase.

NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS

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Page/Page column 66, (2011/09/30)

Novel compounds of the structural formula (I) are activators of AMP-protein kinase and are useful in the treatment, prevention and suppression of diseases mediated by the AMPK- activated protein kinase. The compounds of the present invention are useful in

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