113882-33-0

Basic information

• Product Name: 3-Methyl-5-nitrobenzoic acid
• Synonyms: 3-Methyl-5-nitrobenzoic acid
• CAS NO: 113882-33-0
• Molecular Formula: C₈H₇NO₄
• Molecular Weight: 181
• EINECS: -0
• Mol File: 113882-33-0.mol

Chemical Properties

• Melting Point: 174℃
• Boiling Point: 355.8±30.0 °C(Predicted)
• Appearance: /
• Density: 1.392±0.06 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 3.55±0.10(Predicted)
• CAS DataBase Reference: 3-Methyl-5-nitrobenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Methyl-5-nitrobenzoic acid(113882-33-0)
• EPA Substance Registry System: 3-Methyl-5-nitrobenzoic acid(113882-33-0)

Safety Data

• Hazardous Substances Data: 113882-33-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
3-Methyl-5-nitrobenzoic acid is utilized as a key intermediate in the synthesis of various pharmaceuticals. Its unique structure allows it to be a building block for the development of new drugs, contributing to the advancement of medicinal chemistry.
Used in Organic Chemistry:
3-Methyl-5-nitrobenzoic acid is employed as a reagent in organic chemistry reactions, particularly in the formation of esters and amides. Its ability to participate in a range of chemical transformations makes it a valuable tool for organic synthesis.
Used in Dye and Pigment Industry:
3-Methyl-5-nitrobenzoic acid is used in the production of dyes and pigments, where its chemical properties contribute to the color and stability of these products. Its presence in these applications is crucial for the creation of a wide array of colorants used in various industries.
Used in Materials Science:
In the field of materials science, 3-Methyl-5-nitrobenzoic acid finds applications in the development of new materials with specific properties. Its integration into material compositions can lead to innovations in areas such as polymer science and material engineering.

InChI:InChI=1S/C8H7NO4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3,(H,10,11)

Upstream product

• 99-12-7 5-nitro-m-xylene 
• 5465-34-9 2-amino-5-methyl-3-nitrobenzoic acid 
• 124289-22-1 5-methyl-3-nitrobenzonitrile 
• 7697-37-2 nitric acid 
• 64-19-7 acetic acid 
• 52488-28-5 1-bromo-3-methyl-5-nitrobenzene 
• 89-62-3 4-methyl-2-nitroaniline 
• 482311-23-9 methyl 3-methyl-5-nitrobenzoate 
• 827-24-7 2-bromo-4-methyl-6-nitroaniline 

Downstream Products

• 482311-23-9 methyl 3-methyl-5-nitrobenzoate 
• 2305-37-5 3-amino-5-methylbenzoic acid 
• 100249-20-5 3-methyl-5-nitro-benzoyl chloride 
• 585-81-9 3-hydroxy-5-methylbenzoic acid 
• 861367-46-6 3-methyl-5-nitro-benzoic acid amide 
• 52107-81-0 5-Iod-3-methylacetophenon 
• 52107-90-1 3-iodo-5-methylbenzoic acid 
• 52107-95-6 5-Iod-3-methylbenzoylchlorid 
• 52164-36-0 5-Iod-3-methylbenzophenon 
• 110149-52-5 1-(3-methyl-5-nitro-phenyl)-ethanone 

Relevant articles and documents

BENZAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS

The present invention provides novel benzamide derivatives of Formula (I): or a stereoisomer, tautomer, pharmaceutically acceptable salt, solvate, or prodrug thereof, wherein the variables A, W, Y, Z, R8, and R9 are as defined herein. These compounds are selective inhibitors of factor VIIa which can be used as medicaments.

Antibiotic compounds

The present invention relates to carbapenems and provides a compound of the formula (I): STR1 or a pharmaceutically acceptable salt or in vivo hydrolysable ester thereof wherein: R1 is 1-hydroxyethyl, 1-fluoroethyl or hydroxymethyl; R2 is hydrogen or C1-4 alkyl; R3 is hydrogen or C1-4 alkyl; R4 and R5 are the same or different and are selected from hydrogen, halo, cyano, C1-4 alkyl, nitro, hydroxy, carboxy, C1-4 alkoxy, C1-4 alkoxycarbonyl, aminosulphonyl, C1-4 alkylaminosulphonyl, di-C1-4 alkylaminosulphonyl, carbamoyl, C1-4 alkylcarbamoyl, di-C1-4 alkylcarbamoyl, trifluoromethyl, sulphonic acid, amino, C1-4 alkylamino, di-C1-4 alkylamino, C1-4 alkanoylamino, C1-4 alkanoyl(N-C1-4 alkyl)amino, C1-4 alkanesulphonamido and C1-4 alkylS(O)n -- wherein n is zero, one or two: with the proviso that there is no hydroxy or carboxy substituent in a position ortho to the --NR2 --. Processes for their preparation, intermediates in their preparation, their use as therapeutic agents and pharmaceutical compositions containing them.

Directed biosynthesis of 5'-fluoropactamycin in Streptomyces pactum

A new pactamycin analogue, 5'-fluoropactamycin, was prepared by directed biosynthesis. Supplementation of the fermentation medium of Streptomyces pactum, var. pactum with 3-amino-5-fluorobenzoic acid, an analogue of 3-aminobenzoic acid, an advanced precursor in pactamycin biosynthesis, resulted in co-production of pactamycin and the new pactamycin analogue. A similar feeding experiment with 3-amino-5-methylbenzoic acid did not result in formation of the corresponding methylated pactamycin analogue, but only in inhibition of pactamycin production. Comparison of antimicrobial and cytotoxic activities of pactamycin and 5'-fluoropactamycin showed no significant differences.