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1-Azido-4-chlorobenzene solution is a chemical compound that consists of a benzene ring with an azido group and a chlorine substituent. It is commonly used as a reagent in organic synthesis and as a precursor for various pharmaceutical and agrochemical products. The azido group in the compound makes it highly reactive and capable of participating in a variety of chemical reactions, such as azide-alkyne cycloaddition and nucleophilic aromatic substitution. The solution is typically handled under strict safety precautions due to its explosive nature and potential toxicity. Overall, 1-Azido-4-chlorobenzene solution is an important and versatile chemical reagent with a wide range of applications in synthetic chemistry.

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  • 3296-05-7 Structure
  • Basic information

    1. Product Name: 1-Azido-4-chlorobenzene solution
    2. Synonyms: 1-Azido-4-chlorobenzene solution;Benzene, 1-azido-4-chloro-;1-Azido-4-chlorobenzene solution ~0.5 M in tert-butyl methyl ether, >=95.0% (HPLC)
    3. CAS NO:3296-05-7
    4. Molecular Formula: C6H4ClN3
    5. Molecular Weight: 153.56906
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 3296-05-7.mol
  • Chemical Properties

    1. Melting Point: 20°C
    2. Boiling Point: 252.42°C (rough estimate)
    3. Flash Point: -30℃
    4. Appearance: /
    5. Density: 1.2634
    6. Refractive Index: 1.6000 (estimate)
    7. Storage Temp.: ?20°C
    8. Solubility: N/A
    9. BRN: 1210408
    10. CAS DataBase Reference: 1-Azido-4-chlorobenzene solution(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1-Azido-4-chlorobenzene solution(3296-05-7)
    12. EPA Substance Registry System: 1-Azido-4-chlorobenzene solution(3296-05-7)
  • Safety Data

    1. Hazard Codes: F,Xn
    2. Statements: 11-22-38-43
    3. Safety Statements: 16-36/37
    4. RIDADR: UN 2398 3 / PGII
    5. WGK Germany: 3
    6. RTECS:
    7. HazardClass: N/A
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 3296-05-7(Hazardous Substances Data)

3296-05-7 Usage

Uses

Used in Organic Synthesis:
1-Azido-4-chlorobenzene solution is used as a reagent for various organic synthesis processes due to its high reactivity and ability to participate in different chemical reactions.
Used in Pharmaceutical Industry:
1-Azido-4-chlorobenzene solution is used as a precursor for the development of pharmaceutical products, contributing to the synthesis of new drugs and therapeutic agents.
Used in Agrochemical Industry:
1-Azido-4-chlorobenzene solution is used as a precursor for the development of agrochemical products, such as pesticides and herbicides, to improve agricultural productivity and crop protection.
Used in Research and Development:
1-Azido-4-chlorobenzene solution is used in research and development settings to explore new chemical reactions and investigate its potential applications in various fields, including materials science and nanotechnology.

Check Digit Verification of cas no

The CAS Registry Mumber 3296-05-7 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,2,9 and 6 respectively; the second part has 2 digits, 0 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 3296-05:
(6*3)+(5*2)+(4*9)+(3*6)+(2*0)+(1*5)=87
87 % 10 = 7
So 3296-05-7 is a valid CAS Registry Number.
InChI:InChI=1/C6H4ClN3/c7-5-1-3-6(4-2-5)9-10-8/h1-4H

3296-05-7 Well-known Company Product Price

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  • Aldrich

  • (727482)  1-Azido-4-chlorobenzenesolution  ~0.5 M in tert-butyl methyl ether, ≥95.0% (HPLC)

  • 3296-05-7

  • 727482-10ML

  • 1,627.47CNY

  • Detail
  • Aldrich

  • (727482)  1-Azido-4-chlorobenzenesolution  ~0.5 M in tert-butyl methyl ether, ≥95.0% (HPLC)

  • 3296-05-7

  • 727482-50ML

  • 5,961.15CNY

  • Detail

3296-05-7SDS

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-Azido-4-chlorobenzene

1.2 Other means of identification

Product number -
Other names Benzene, 1-azido-4-chloro-

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:3296-05-7 SDS

3296-05-7Relevant articles and documents

Design and synthesis of 1,4-disubstituted 1,2,3-triazoles: Biological evaluation, in silico molecular docking and ADME screening

?e?me, Mustafa,?zgeri?, Fatma Betül,?ahin, ?rfan,Güng?r, ?zge,Tümer, Ferhan

, (2022)

In this study, propargyl compounds were synthesized from 4-hydroxybenzaldehyde and 3?methoxy-4-hydroxybenzaldehyde (2a-2b). As a result of click reactions of synthesized propargyl compounds (2a-b) with organic azides (4a-4e), carbonyl compounds (5a-5 h) h

Discovery of new 1,4-disubstituted 1,2,3-triazoles: in silico ADME profiling, molecular docking and biological evaluation studies

?e?me, Mustafa,?ahin, ?rfan,Tümer, Ferhan,Yüce, Neslihan

, (2022/01/31)

In this work, eight new 1,2,3-triazoles (6a–h) were synthesized from acetylenes’ “click” reaction with p-substituted azide derivatives. The structures of the compounds were characterized using standard analytical and spectroscopic methods (elemental analy

Triazole [5, 4-d] pyrimidone tricyclic compounds as well as preparation method and application thereof

-

Paragraph 0064; 0067-0070; 0072, (2021/07/09)

The invention relates to triazole [5, 4-d] pyrimidone tricyclic compounds as well as a preparation method and application thereof.The triazole [5, 4-d] pyrimidone tricyclic compounds are prepared by following steps: taking different substituted anilines a

Selective CDK4/6 inhibition of novel 1,2,3-triazole tethered acridinedione derivatives induces G1/S cell cycle transition arrest via Rb phosphorylation blockade in breast cancer models

Praveenkumar,Gurrapu, Nirmala,Kolluri, Prashanth Kumar,Shivaraj,Subhashini,Dokala, Appaji

, (2021/10/12)

CDK4 & CDK6 are essential regulators of initial cell cycle phases and are always considered an exciting choice for anti-cancer therapy. In the present study, we presented the structure-based rational design & synthesis of a new class of 1,2,3-triazole tet

Synthesis and rational design of new appended 1,2,3-triazole-uracil ensembles as promising anti-tumor agents via in silico vegfr-2 transferase inhibition

Bhaskar, Kuthati,Hu, Anren,Hung, Sung-Jen,Raju, Atcha Krishnam,Rao, Vankadari Srinivasa,Reddy, Nadipolla Naresh,Reddy, Puchakayala Muralidhar,Rohini, Rondla,Sanjeev, Ananthula,Swamy, Merugu Kumara

, (2021/05/29)

Angiogenesis inhibition is a key step towards the designing of new chemotherapeutic agents. In a view to preparing new molecular entities for cancer treatment, eighteen 1,2,3-triazole-uracil ensembles 5a–r were designed and synthesized via the click reaction. The ligands were well characterized using1 H-,13 C-NMR, elemental analysis and ESI-mass spectrometry. The in silico binding propinquities of the ligands were studied sequentially in the active region of VEGFR-2 using the Molegro virtual docker. All the compounds produced remarkable interactions and potentially inhibitory ligands against VEGFR-2 were obtained with high negative binding energies. Drug-likeness was assessed from the ADME properties. Cytotoxicity of the test compounds was measured against HeLa and HUH-7 tumor cells and NIH/3T3 normal cells by MTT assay. Compound 5h showed higher growth inhibition activity than the positive control, 5-fluorouracil (5-FU), against both HeLa and HUH-7 cells with IC50 values of 4.5 and 7.7 μM respectively. Interestingly, the compounds 5a–r did not show any cytotoxicity towards the normal cell lines. The results advance the position of substituted triazoles in the area of drug design with no ambiguity.

Design and synthesis of novel diosgenin-triazole hybrids targeting inflammation as potential neuroprotective agents

Huang, Yi,Huang, Weiwei,Yang, Guixiang,Wang, Rui,Ma, Lei

supporting information, (2021/05/21)

Alzheimer's disease is a progressive neurodegenerative disease, and its incidence is expected to increase as the global population ages. Recent studies provide increasing evidence that inflammation plays a key role in the pathogenesis and progression of AD. Diosgenin, an active ingredient in Dioscorea nipponica Makino, is a promising bioactive lead compound in the treatment of Alzheimer's disease, which exhibited anti-inflammatory activity. To search for more efficient anti-Alzheimer agents, a series of novel diosgenin-triazolyl hybrids were designed, synthesized, and their neuroprotective effects against oxygen-glucose deprivation-induced neurotoxicity and LPS-induced NO production were evaluated. Most of these new hybrids displayed better activities than DIO. In particular, the promising compound L6 not only demonstrated an excellent neuroprotective effect but also showed the best anti-inflammatory activity. The structure-activity relationship study illustrated that the introduction of benzyl or phenyl triazole did improve the activity, and the introduction of benzyl triazole was better than that of phenyl triazole. The results we obtained showed that the diosgenin skeleton could be a promising structural template for the development of new anti-Alzheimer drug candidates, and compound L6 has the potential to be an important lead compound for further research.

Synthesis and antitumor activity of 1-substituted 1,2,3-triazole-mollugin derivatives

Hu, Jiang-Miao,Li, Hong-Mei,Liu, Shou-Jin,Luo, Han,Lv, Yong-Feng,Zhang, Hong

, (2021/06/11)

A new series of mollugin-1,2,3-triazole derivatives were synthesized using a copper(I)-catalyzed Huisgen 1,3-dipolar cycloaddition reaction of corresponding O-propargylated mollugin with aryl azides. All the compounds were evaluated for their cytotoxicity on five human cancer cell lines (HL-60, A549, SMMC-7721, SW480, and MCF-7) using MTS assays. Among the synthesized series, most of them showed cytotoxicity and most of all, compounds 14 and 17 exhibited significant cytotoxicity of all five cancer cell lines.

Efficient and simple synthesis of novel 1,2,3-triazolyl-linked benzimidazolone, molecular docking and evaluation of their antimicrobial activity

Adardour, Mohamed,Boutafda, Aziz,Hdoufane, Ismail,Aghraz, Abdellah,Hafidi, Mohamed,Zaballos-García, Elena,Cherqaoui, Driss,Baouid, Abdesselam

, p. 3490 - 3506 (2020/08/19)

In this study, a novel series of 1,2,3-triazolyl-benzimidazolone derivatives have been synthesized by click reaction of azides with benzimidazolones 2a–b. The latter compounds were prepared with excellent yields (85–97%), the structures of products were determined by spectral analysis. Then, the X-rays crystallographic analysis of compound 7a revealed the self-assembling properties. The new heterocycles were evaluated for their in?vitro antimicrobial activities against Gram-positive and Gram-negative bacteria and against fungi strains. The most tested synthesized compounds showed potent antibacterial and antifungal activities against all tested strains. The compound 6c was found to be the most active, particularly, against Aspergillus niger and Penicillium sp. with the same MIC and MBC of 0.0625 mg/mL. Furthermore, in silico molecular docking studies stipulated a sign of a good correlation between experimental activity and calculated binding affinity. According to the docking results, compound 6d showed minimum binding energy and can be considered as a good antimicrobial agent.

Click-tambjamines as efficient and tunable bioactive anion transporters

Alonso-Carrillo, Daniel,Caci, Emanuela,Capurro, Valeria,Carreira-Barral, Israel,Mielczarek, Marcin,Quesada, Roberto,Soto-Cerrato, Vanessa,García-Valverde, María,Pérez Tomás, Ricardo

supporting information, p. 3218 - 3221 (2020/03/23)

A novel class of transmembrane anion carriers, the click-tambjamines, display remarkable anionophoric activities in model liposomes and living cells. The versatility of this building block for the generation of molecular diversity offers promise to develo

A Metal-Free Synthesis of N-Aryl Oxazolidin-2-Ones by the One-Pot Reaction of Carbon Dioxide with N-Aryl Aziridines

Sonzini, Paolo,Damiano, Caterina,Intrieri, Daniela,Manca, Gabriele,Gallo, Emma

supporting information, p. 2961 - 2969 (2020/07/06)

The cost-effective TPPH2/TBACl-catalyzed (TPPH2=dianion of tetraphenyl porphyrin; TBACl=tetrabutyl ammonium chloride) carbon dioxide cycloaddition to N-aryl aziridines was successful in synthesizing N-aryl oxazolidin-2-ones. A cataly

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