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2-(Bromomethyl)-1-chloro-4-nitrobenzene is a chemical compound with the molecular formula C7H5BrClNO2. It is a yellow solid at room temperature and is a derivative of benzene, featuring a bromomethyl group, a chlorine atom, and a nitro group attached to the benzene ring. 2-(Bromomethyl)-1-chloro-4-nitrobenzene is commonly used in organic synthesis as an intermediate for the production of pharmaceuticals, agrochemicals, and dyes. Due to its toxic nature, it is crucial to handle this chemical with care to prevent irritation to the skin, eyes, and respiratory system, and to be mindful of its environmental impact and disposal regulations.

52427-01-7

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52427-01-7 Usage

Uses

Used in Pharmaceutical Industry:
2-(Bromomethyl)-1-chloro-4-nitrobenzene is used as a synthetic intermediate for the development of various pharmaceuticals. Its unique structure allows for the creation of a wide range of drug molecules, contributing to the advancement of medicinal chemistry.
Used in Agrochemical Industry:
In the agrochemical sector, 2-(Bromomethyl)-1-chloro-4-nitrobenzene serves as a key intermediate in the synthesis of pesticides and other agrochemicals. Its versatility in chemical reactions enables the production of effective compounds for crop protection and management.
Used in Dye Industry:
2-(Bromomethyl)-1-chloro-4-nitrobenzene is utilized as an intermediate in the production of dyes. Its chemical properties facilitate the synthesis of a variety of dyes used in different applications, such as textiles, plastics, and printing inks.
Used in Organic Synthesis:
As a versatile intermediate in organic synthesis, 2-(Bromomethyl)-1-chloro-4-nitrobenzene is employed in the preparation of various organic compounds. Its reactivity and functional groups make it a valuable building block for the synthesis of complex molecules in research and industrial applications.

Check Digit Verification of cas no

The CAS Registry Mumber 52427-01-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,2,4,2 and 7 respectively; the second part has 2 digits, 0 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 52427-01:
(7*5)+(6*2)+(5*4)+(4*2)+(3*7)+(2*0)+(1*1)=97
97 % 10 = 7
So 52427-01-7 is a valid CAS Registry Number.
InChI:InChI=1/C7H5BrClNO2/c8-4-5-3-6(10(11)12)1-2-7(5)9/h1-3H,4H2

52427-01-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(Bromomethyl)-1-chloro-4-nitrobenzene

1.2 Other means of identification

Product number -
Other names 2-(BROMOMETHYL)-1-CHLORO-4-NITROBENZENE

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:52427-01-7 SDS

52427-01-7Relevant academic research and scientific papers

CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF

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Paragraph 0264; 0265, (2018/02/01)

The present invention provides synthesis, pharmaceutically acceptable formulations and uses of compounds in accordance with Formula (I), or a stereoisomer, a tautomer or a pharmaceutically acceptable salt thereof. For Formula (I) compounds R1, R2, R3, Ar and Z are as defined in the specification. The inventive Formula (I) compounds are inhibitors of CK2 and find utility in any number of therapeutic applications, including but not limited to treatment of proliferative disorders such as cancer, inflammation and immunological disorders.

THERAPEUTIC COMPOUNDS

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Paragraph 0395; 0403; 0405, (2017/01/23)

The invention provides compounds of formula (I): wherein, A, C, D, X, and Y have any of the values defined in the specification, and salts thereof. The compounds are SIRT2 inhibitors and are useful for treating SIRT2 associated conditions.

SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS

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Paragraph 00227, (2016/06/28)

The invention provides substituted pyrrolo[l,2-a]pyrimi dines and related organic compounds, compositions containing such compounds, medical kits, and methods for using such compounds and compositions to treat medical disorders, e.g., Gaucher disease, Parkinson's disease, Lewy body disease, dementia, or multiple system atrophy, in a patient. Exemplary substituted pyrrolo[1,2-a]pyrimidines compounds described herein include substituted 2,4-dimethyl-N-phenylpyrrolo[l,2-a]pyrimidine-8-carboxamide compounds and variants thereof.

SUBSTITUTED PYRAZOLO(1,5-A)PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS

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Paragraph 00295, (2016/06/01)

The invention provides substituted pyrazolo[l,5-a]pyrimidine and related organic compounds, compositions containing such compounds, medical kits, and methods for using such compounds and compositions to treat medical disorders, e.g., Gaucher disease, Parkinson's disease, Lewy body disease, dementia, or multiple system atrophy, in a patient. Exemplary substituted pyrazolo[l,5-a]pyrimidine compounds described herein include 5,7- dimethyl-N-phenylpyrazolo[l,5-a]pyrimidine-3-carboxamide compounds and variants thereof.

SUBSTITUTED IMIDAZO[1,5-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS

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Paragraph 00252, (2016/06/01)

The invention provides substituted imidazo[1,5-a]pyrimidines and related organic compounds, compositions containing such compounds, medical kits, and methods for using such compounds and compositions to treat medical disorders, e.g., Gaucher disease, Parkinson's disease, Lewy body disease, dementia, or multiple system atrophy, in a patient. Exemplary substituted imidazo[1,5-a]pyrimidine compounds described herein include substituted 2,4-dimethyl-N-phenylimidazo[1,5-a]pyrimidine-8-carboxamide compounds and variants thereof.

Synthesis, antimalarial activity, and preclinical pharmacology of a novel series of 4'-fluoro and 4'-chloro analogues of amodiaquine. identification of a suitable "back-up" compound for N-tert-butyl isoquine

O'Neill, Paul M.,Shone, Alison E.,Stanford, Deborah,Nixon, Gemma,Asadollahy, Eghbaleh,Park, B. Kevin,Maggs, James L.,Roberts, Phil,Stocks, Paul A.,Biagini, Giancarlo,Bray, Patrick G.,Davies, Jill,Berry, Neil,Hall, Charlotte,Rimmer, Karen,Winstanley, Peter A.,Hindley, Stephen,Bambal, Ramesh B.,Davis, Charles B.,Bates, Martin,Gresham, Stephanie L.,Brigandi, Richard A.,Gomez-de-las-Heras, Federico M.,Gargallo, Domingo V.,Parapini, Silvia,Vivas, Livia,Lander, Hollie,Taramelli, Donatella,Ward, Stephen A.

supporting information; experimental part, p. 1828 - 1844 (2009/12/31)

On the basis of a mechanistic understanding of the toxicity of the 4-aminoquinoline amodiaquine (1b), three series of amodiaquine analogues have been prepared where the 4-aminophenol "metabolic alert" has been modified by replacement of the 4'-hydroxy gro

NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE

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Page/Page column 150-151, (2008/12/04)

The present invention provides new compounds of formula I, wherein Q, R1, R2, R4, R5, R6, Xi, R7, R8, M and G1 nare defined as in formula I; invention compounds are modulators of follicle-stimulating hormone - ("FSH") which are useful for male and female contraception as well as other disorders modulated by FSH receptor.

4-Phenylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione inhibitors of the checkpoint kinase Wee1. structure-activity relationships for chromophore modification and phenyl ring substitution

Palmer, Brian D.,Thompson, Andrew M.,Booth, R. John,Dobrusin, Ellen M.,Kraker, Alan J.,Lee, Ho H.,Lunney, Elizabeth A.,Mitchell, Lorna H.,Ortwine, Daniel F.,Smaill, Jeff B.,Swan, Leesa M.,Denny, William A.

, p. 4896 - 4911 (2007/10/03)

High-throughput screening has identified a novel class of inhibitors of the checkpoint kinase Wee1, which have potential for use in cancer chemotherapy. These inhibitors are based on a 4-phenylpyrrolo[3,4-c]-carbazole-1,3(2H,6H)- dione template and have been shown by X-ray crystallography to bind at the ATP site of the enzyme. An extensive study of the effects of substitution around this template has been carried out, which has identified substituents which lead to improvements in potency and selectivity for Wee1. While retention of the maleimide ring and pendant 4-phenyl group is necessary for potency, replacement of the carbazole nitrogen by oxygen is well tolerated and results in improved Wee1 selectivity against the related checkpoint kinase Chk1. Wee1 potency and selectivity are also enhanced by the incorporation of lipophilic functionality at the 2′-position of the 4-phenyl ring, and Wee1 selectivity against Chk1 is favored by C3-C5 alkyl substitution of the carbazole nitrogen. These studies provide a basis for the design of active analogues of the pyrrolocarbazole lead with improved physical properties.

ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANAMIDE COMPOUNDS AS ORL1-RECEPTOR ANTAGONIST

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Page/Page column 86, (2010/02/14)

This invention provides the compounds of formula (I): or a pharmaceutically acceptable ester of such compound, or a pharmaceutically acceptable salt thereof, wherein Ri and R2 independently represent a hydrogen atom or the like; R3 represents a hydrogen atom, or the like; R4 represents a hydrogen atom or the like; (formula II) represents one of the following or the like; R5 represents an aryl group having from 6 to 10 ring atoms or the like; X represents an oxygen atom, or the like; Y represents an oxgen atom or the like and n represents an integer 0, 1 or 2. These compounds have ORL1-receptor antagonist activity; and therefore, are useful to treat diseases or conditions such as pain, various CNS diseases etc.

Identification of novel p38α MAP kinase inhibitors using fragment-based lead generation

Gill, Adrian L.,Frederickson, Martyn,Cleasby, Anne,Woodhead, Steven J.,Carr, Maria G.,Woodhead, Andrew J.,Walker, Margaret T.,Congreve, Miles S.,Devine, Lindsay A.,Tisi, Dominic,O'Reilly, Marc,Seavers, Lisa C. A.,Davis, Deborah J.,Curry, Jayne,Anthony, Eachel,Padova, Alessandro,Murray, Christopher W.,Carr, Robin A. E.,Jhoti, Harren

, p. 414 - 426 (2007/10/03)

We describe the structure-guided optimization of the molecular fragments 2-amino-3-benzyl-oxypyridine 1 (IC50 1.3 mM) and 3-(2-(4-pyridyl) ethyl)indole 2 (IC50 35 μM) identified using X-ray crystallographic screening of p38α MAP kinase. Using two separate case studies, the article focuses on the key compounds synthesized, the structure-activity relationships and the binding mode observations made during this optimization process, resulting in two potent lead series that demonstrate significant increases in activity. We describe the process of compound elaboration either through the growing out from fragments into adjacent pockets or through the conjoining of overlapping fragments and demonstrate that we have exploited the mobile conserved activation loop, consisting in part of Asp168-Phe169-Gly170 (DFG), to generate significant improvements in potency and kinase selectivity.

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