2213-79-8

Basic information

• Product Name: METHYL 2-CHLORO-3,5-DINITROBENZOATE
• Synonyms: METHYL 2-CHLORO-3,5-DINITROBENZOATE
• CAS NO: 2213-79-8
• Molecular Formula: C₈H₅ClN₂O₆
• Molecular Weight: 260.59
• Mol File: 2213-79-8.mol
• Article Data: 3

Chemical Properties

• Melting Point: 90 °C
• Boiling Point: 384.9 °C at 760 mmHg
• Flash Point: 186.6 °C
• Appearance: /
• Density: 1.599 g/cm³
• Vapor Pressure: 3.95E-06mmHg at 25°C
• Refractive Index: 1.603
• CAS DataBase Reference: METHYL 2-CHLORO-3,5-DINITROBENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 2-CHLORO-3,5-DINITROBENZOATE(2213-79-8)
• EPA Substance Registry System: METHYL 2-CHLORO-3,5-DINITROBENZOATE(2213-79-8)

Safety Data

• Hazardous Substances Data: 2213-79-8(Hazardous Substances Data)

Usage

General Description

Methyl 2-chloro-3,5-dinitrobenzoate is a chemical compound with the molecular formula C8H6ClNO6. It is a yellow crystalline solid that is insoluble in water but soluble in organic solvents. This chemical is mainly used as an intermediate in the synthesis of various pharmaceuticals, dyes, and agrochemicals. Additionally, it is used as a reagent in organic chemical synthesis and as a precursor in the preparation of other valuable compounds. Methyl 2-chloro-3,5-dinitrobenzoate is also known to be a skin and eye irritant and should be handled with care in a well-ventilated area while wearing appropriate protective gear.

InChI:InChI=1/C8H5ClN2O6/c1-17-8(12)5-2-4(10(13)14)3-6(7(5)9)11(15)16/h2-3H,1H3

Upstream product

• 67-56-1 methanol 
• 42747-54-6 2-chloro-3,5-dinitrobenzoyl chloride 
• 2497-91-8 2-chloro-3,5-dinitrobenzoic acid 
• 22633-33-6 methyl-3,5-dinitrosalicylate 
• 98-59-9 p-toluenesulfonyl chloride 

Downstream Products

• 100541-90-0 2-(2-amino-phenylsulfanyl)-3,5-dinitro-benzoic acid methyl ester 
• 74590-04-8 4,4',6,6'-tetranitro-2,2'-dicarboxybiphenyl dimethyl ester 
• 857842-98-9 N-(6-methoxycarbonyl-2,4-dinitrophenyl)glycine 
• 23614-55-3 5,7-dinitro-2-phenyl-1,2-dihydro-indazol-3-one 
• 83907-91-9 2-(4-Methyl-1-piperazinyl)-3,5-dinitro-N-(4-nitrophenyl)benzamide 
• 83907-96-4 1-(2-Chloro-3,5-diisothiocyanatobezoyl)-2-mercaptobenzimidazole 
• 83907-95-3 2-(2-Chloro-3,5-diisothiocyanatophenyl)benzimidazole 
• 344267-43-2 3,5-Diamino-N-(2-aminophenyl)-2-chlorobenzamide 
• 83907-94-2 2-(3,5-Diamino-2-chlorophenyl)benzimidazole 
• 110330-17-1 methyl 2-(4-methoxyphenyl)-7-nitro-4-phenyl-5-quinazolinecarboxylate 
• 853655-27-3 6-(3-tert-butyl-ureido)-2-(2-methoxy-5-nitro-benzylsulfanyl)-3-propyl-3H-benzoimidazole-4-carboxylic acid methyl ester 
• 853655-28-4 6-(3-tert-butyl-ureido)-2-(2-methoxy-5-nitro-benzylsulfanyl)-3-propyl-3H-benzoimidazole-4-carboxylic acid 
• 853655-46-6 3,5-diamino-2-propylamino-benzoic acid methyl ester 
• 853655-45-5 3,5-dinitro-2-propylamino-benzoic acid methyl ester 

Relevant articles and documents

Synthesis and evaluation of new dinitrobenzamide mustards in human prostate cancer

Tumor hypoxia has been widely explored over the years as a diagnostic and therapeutic marker. Herein, we have reported the design and synthesis of a series of dinitrobenzamide mustards (DNBM) based on the PR-104A hypoxia-selective prodrug. Specifically, we explored the impact of various leaving groups and the introduction of a carboxylic acid group on the biological performance of the DNBM constructs. Once in hand, the Log D values, cytotoxicity in PC-3 and DU-145 human prostate cancer cells lines and the hypoxia selectivities of the DNBM analogs were examined. Overall, the DNBM constructs were found to be tolerant to modifications with none of the explored modifications substantially degrading the cytotoxic potential of the constructs.

REPLACEMENT OF REACTIVE PHENOLIC HYDROXYL GROUPS BY CHLORINE WITH

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