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645-00-1

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645-00-1 Usage

Description

1-Iodo-3-nitrobenzene is a C-nitro compound that is nitrobenzene bearing an iodine substituent at C-3. It is characterized by its monoclinic prisms or tan solid appearance.

Uses

Used in Organic Synthesis:
1-Iodo-3-nitrobenzene is used as a key intermediate in the synthesis of various organic compounds, such as 5-substituted pyrrolo[3,2-b]pyridine amide and 3′-nitro-4-methylthiobiphenyl. Its unique structure allows for versatile reactions and the formation of diverse chemical products.
Used in Palladium(0) Catalyzed Cross-Coupling Reactions:
1-Iodo-3-nitrobenzene is utilized as a reactant in palladium(0) catalyzed cross-coupling reactions between heteroarylzinc iodide and unsaturated iodide. This application is significant in the field of organic chemistry, as it enables the formation of new carbon-carbon and carbon-heteroatom bonds, leading to the creation of complex molecular structures with potential applications in pharmaceuticals, materials science, and other industries.

Check Digit Verification of cas no

The CAS Registry Mumber 645-00-1 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,4 and 5 respectively; the second part has 2 digits, 0 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 645-00:
(5*6)+(4*4)+(3*5)+(2*0)+(1*0)=61
61 % 10 = 1
So 645-00-1 is a valid CAS Registry Number.

645-00-1 Well-known Company Product Price

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  • Alfa Aesar

  • (B21605)  1-Iodo-3-nitrobenzene, 99%   

  • 645-00-1

  • 25g

  • 412.0CNY

  • Detail
  • Alfa Aesar

  • (B21605)  1-Iodo-3-nitrobenzene, 99%   

  • 645-00-1

  • 100g

  • 1301.0CNY

  • Detail
  • Alfa Aesar

  • (B21605)  1-Iodo-3-nitrobenzene, 99%   

  • 645-00-1

  • 500g

  • 5516.0CNY

  • Detail
  • Aldrich

  • (144495)  1-Iodo-3-nitrobenzene  99%

  • 645-00-1

  • 144495-25G

  • 428.22CNY

  • Detail

645-00-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-iodo-3-nitrobenzene

1.2 Other means of identification

Product number -
Other names 3-Iodonitrobenzene

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:645-00-1 SDS

645-00-1Relevant articles and documents

Low-temperature and highly efficient liquid-phase catalytic nitration of chlorobenzene with NO2: Remarkably improving the para-selectivity in O2-Ac2O-Hβ composite system

Deng, Renjie,Liu, Pingle,Luo, He'an,Ni, Wenjin,You, Kuiyi,Zhao, Fangfang

, (2020/02/26)

In this work, we developed a low-temperature and efficient approach for the highly selective preparation of valuable p-nitrochlorobenzene from the liquid-phase catalytic nitration of chlorobenzene with NO2 in O2-Ac2O-Hβ composite system. The results demonstrated that the introduction of molecular oxygen remarkably enhanced the chlorobenzene conversion and the cooperation catalysis of Hβ zeolite and Ac2O envidently improved the selectivity to para-nitro product. Under the optimized reaction conditions, 93.6 % of the selectivity to p-nitrochlorobenzene with 84.0 % of chlorobenzene conversion was obtained, and the ratio of p-nitrochlorobenzene to o-nitrochlorobenzene could reach up to 20.3. Furthermore, the selectivity distribution of nitration products was reasonably explained by the density functional theory (DFT) calculation. Finally, the possible nitration reaction pathway of chlorobenzene with NO2 was suggested in O2-Ac2O-Hβ composite catalytic system. The present work affords a new and mild nitration approach for highly selective preparation of valuable para-nitro products, and has potential industrial application prospects.

Pd-Catalyzed Decarboxylative Ortho-Halogenation of Aryl Carboxylic Acids with Sodium Halide NaX Using Carboxyl as a Traceless Directing Group

Fu, Zhengjiang,Jiang, Yongqing,Wang, Shuiliang,Song, Yuanyuan,Guo, Shengmei,Cai, Hu

supporting information, p. 3003 - 3007 (2019/05/10)

A highly regioselective Pd-catalyzed carboxyl directed decarboxylative ortho-C-H halogenation of cheap o-nitrobenzoic acids with NaX (X = I, Br) under aerobic conditions has been established. The utility of the method has been demonstrated by the gram-scale reaction and derivatization of the product. Experimental results have confirmed Pd and Bi played critical roles in the transformation and indicated the transformation might proceed via 2-halo-6-nitrobenzoic acid derivative intermediate.

Compound having dual effects on 5-HT and application thereof in treatment of depression

-

Paragraph 0028; 0029; 0030; 0031, (2018/09/21)

The invention discloses a compound having dual effects on 5-HT and application thereof in treatment of depression. As shown in the description, R1, R2, R3 and R4 are independently selected from H, F or CH3. In recent years, a dual-effect anti-depression drug with partial excitation of serotonin 1A receptor and selective serotonin reuptake inhibition becomes a hot spot for new antidepressant research. In rat synaptosome, [3H]5-HT uptake inhibition and h5-HT1A binding affinity experiments prove that the compound has 5-HT reuptake inhibition effect and 5-HT1A receptor excitation effect, indicating that the compound can be used as a medicament for treating central nervous system dysfunction such as depression and anxiety in humans.

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