ChemicalBook >> CAS DataBase List >>3-Methyl-4-nitrobenzoic acid

3-Methyl-4-nitrobenzoic acid

CAS No.
3113-71-1
Chemical Name:
3-Methyl-4-nitrobenzoic acid
Synonyms
4-NITRO-M-TOLUIC ACID;4-Nitro-m-toluylsure;Methyl-4-nitrobenzoic;4-NITRO-3-METHYLBENZOIC ACID;4,3-NMBA;Fluralaner-027;RARECHEM AL BO 0346;-4-nitrobenzoic Acid;m-Toluic acid, 4-nitro-;3-Methyl-4-nitrobenzoic
CBNumber:
CB2720513
Molecular Formula:
C8H7NO4
Molecular Weight:
181.15
MDL Number:
MFCD00007168
MOL File:
3113-71-1.mol
MSDS File:
SDS

3-Methyl-4-nitrobenzoic acid Properties

Melting point 216-218 °C (lit.)
Boiling point 314.24°C (rough estimate)
Density 1.4283 (rough estimate)
refractive index 1.5468 (estimate)
storage temp. Sealed in dry,Room Temperature
form Amorphous Powder
pka 3.49±0.10(Predicted)
color Yellow
Water Solubility <0.1 g/100 mL at 22 ºC
BRN 1959154
InChIKey XDTTUTIFWDAMIX-UHFFFAOYSA-N
CAS DataBase Reference 3113-71-1(CAS DataBase Reference)
FDA UNII ELP258JXH0
NIST Chemistry Reference 3-Methyl-4-nitrobenzoic acid(3113-71-1)
EPA Substance Registry System 3-Methyl-4-nitrobenzoic acid (3113-71-1)

SAFETY

Risk and Safety Statements

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes  Xi,Xn
Risk Statements  36/37/38-20/21/22
Safety Statements  26-36-36/37/39-22
WGK Germany  3
Hazard Note  Irritant
TSCA  Yes
HS Code  29163900
NFPA 704
1
2 0

3-Methyl-4-nitrobenzoic acid price More Price(36)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich M60600 3-Methyl-4-nitrobenzoic acid 99% 3113-71-1 25g $28.1 2022-05-15 Buy
TCI Chemical M0565 3-Methyl-4-nitrobenzoic Acid >98.0%(T)(HPLC) 3113-71-1 25g $24 2022-04-27 Buy
TCI Chemical M0565 3-Methyl-4-nitrobenzoic Acid >98.0%(T)(HPLC) 3113-71-1 500g $186 2022-04-27 Buy
Alfa Aesar A15523 3-Methyl-4-nitrobenzoic acid, 99% 3113-71-1 500g $158 2021-12-16 Buy
Alfa Aesar A15523 3-Methyl-4-nitrobenzoic acid, 99% 3113-71-1 100g $39.5 2021-12-16 Buy
Product number Packaging Price Buy
M60600 25g $28.1 Buy
M0565 25g $24 Buy
M0565 500g $186 Buy
A15523 500g $158 Buy
A15523 100g $39.5 Buy

3-Methyl-4-nitrobenzoic acid Chemical Properties,Uses,Production

Chemical Properties

white to light yellow crystal powder

Uses

3-Methyl-4-nitrobenzoic Acid is used as a reagent in the synthesis of influenza neuraminidase inhibitors with pyrrolidinobenzoic acid scaffold containing lipophilic side chains.

Preparation

3-Methyl-4-nitrobenzoic acid was synthesized via oxidation of 2,4-(dimethylnitrobenzene) with mole-(cular) oxygen catalyzed by cobalt acetate in acetic acid in the presence of an initiator.It was found that the yield of 3-methyl-4-nitrobenzoic acid increased remarkably with the addition of sodium bromide as a co-(catalyst).The reaction was carried out at 130 ℃ for 8 h at 0.8 MPa of oxygen in the presence of 0.017 mol of cobalt acetate,(0.017 mol) of sodium bromide,and 0.30 mol of 2-butanone with 1.00 mole of 2,4-dimethylnitrobenzene.(Under) these conditions 99% of the reactant converted with a selectivity of 52% to 3-methyl-4-(nitrobenzoic) acid,and the yield of 3methyl-4-(nitrobenzoic) acid was 51%.The reaction mechanism and the function of(sodium) bromide were discussed.According to the fact that the reaction could not proceed without the presence of an initiator,it was proposed that the reaction took place via a free radical mechanism,and(sodium) bromide reacted with Co(Ⅲ) to generate bromine radicals,which promoted the formation of benzyl radicals.
Synthesis of 3-Methyl-4-nitrobenzoic Acid via Catalytic Oxidation with Molecular Oxygen
Method for preparing 3-methyl-4-nitrobenzoic acid by oxidizing with nitric acid

General Description

Needles or off white powder.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

3-Methyl-4-nitrobenzoic acid is a nitrated carboxylic acid. Carboxylic acids donate hydrogen ions if a base is present to accept them. They react in this way with all bases, both organic (for example, the amines) and inorganic. Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat. Neutralization between an acid and a base produces water plus a salt. Carboxylic acids with six or fewer carbon atoms are freely or moderately soluble in water; those with more than six carbons are slightly soluble in water. Soluble carboxylic acid dissociate to an extent in water to yield hydrogen ions. The pH of solutions of carboxylic acids is therefore less than 7.0. Many insoluble carboxylic acids react rapidly with aqueous solutions containing a chemical base and dissolve as the neutralization generates a soluble salt. Carboxylic acids in aqueous solution and liquid or molten carboxylic acids can react with active metals to form gaseous hydrogen and a metal salt. Such reactions occur in principle for solid carboxylic acids as well, but are slow if the solid acid remains dry.

Fire Hazard

Flash point data for 3-Methyl-4-nitrobenzoic acid are not available; however, 3-Methyl-4-nitrobenzoic acid is probably combustible.

89-87-2
3113-71-1
Synthesis of 3-Methyl-4-nitrobenzoic acid from 4-Nitro-1,3-dimethylbenzene
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View Lastest Price from 3-Methyl-4-nitrobenzoic acid manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
2022-07-07 3-Methyl-4-Nitrobenzoic Acid
3113-71-1
US $10.00-20.00 / kg 1kg 99% 20000 Hebei Linwo New Material Technology Co., LTD
2022-02-25 3-Methyl-4-nitrobenzoic acid
3113-71-1
US $20.90 / Kg/Drum 25Kg/Drum 99.00%HPLC 30tons/month Asia Chem I and E (Jiangsu) Co Ltd
2022-02-25 3-Methyl-4-nitrobenzoic acid
3113-71-1
US $12.99 / KG 1KG 99% 100KG Hong Kong Tiansheng New Material Trading Co., Ltd
3-METHYL-4-NITROBENZOIC ACID FOR SYNTHES 3-Methyl-4-nitronbenzoic acid 5-Carboxy-2-nitrotoluene, 4-Nitro-m-toluic acid 3-methyl-4-nitro-benzoicaci Benzoic acid, 3-methyl-4-nitro- m-Toluic acid, 4-nitro- 3-METHYL-4-NITROBENZENECARBOXYLIC ACID 3-METHYL-4-NITROBENZOIC ACID 2-NITROTOLUENE-5-CARBOXYLIC ACID RARECHEM AL BO 0346 3-Methyl-2-Nitrobenzole acid 4,3-NMBA 3-Methyl-4-nitrobenzoic 3-METHYL-4-NITROBENZOIC ACID / 4-NITRO-M-TOLUIC ACID 3-Methyl-4-nitrobenzoic acid,99% 4-Nitro-m-toluic acid (COOH=1) m-Methyl-p-nitrobenzoic acid 3113-71-1 4-Nitro-m-toluic acid 3-Methyl-4-nitrobenzoic acid 3113-71-1 3-Methyl-4-nitrobenzoicAcid> 3-Methyl-4-nitrobenzoic acid fandachem -4-nitrobenzoic Acid 3-Methyl-4-nitrobenzoic acid ISO 9001:2015 REACH Fluralaner-027 4-NITRO-3-METHYLBENZOIC ACID 4-NITRO-M-TOLUIC ACID 4-Nitro-m-toluylsure Methyl-4-nitrobenzoic 3113-71-1 3113-71-3 3122-71-1 CH3C6H3NO2COOH CARBOXYLIC ACID Organic Building Blocks C8 Carbonyl Compounds Carboxylic Acids Building Blocks Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts Benzoic acid Organic acids pharmaceutical intermediates