3-Methyl-2-nitrobenzoic acid
- Product Name
- 3-Methyl-2-nitrobenzoic acid
- CAS No.
- 5437-38-7
- Chemical Name
- 3-Methyl-2-nitrobenzoic acid
- Synonyms
- 2-NITRO-M-TOLUIC ACID;2-NITRO-3-METHYLBENZOIC ACID;BL-ME-0;RMA-111;3-Methyl-2-n;Fluralaner-028;RSYY(Apremilast)-19;3-Methyl-2-nitrobenz;-2-nitrobenzoic acid;Fluralaner Impurity 49
- CBNumber
- CB9223457
- Molecular Formula
- C8H7NO4
- Formula Weight
- 181.15
- MOL File
- 5437-38-7.mol
3-Methyl-2-nitrobenzoic acid Property
- Melting point:
- 220-223 °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
- powder to crystal
- pka
- 2.26±0.10(Predicted)
- color
- White to Almost white
- Water Solubility
- <0.1 g/100 mL at 22 ºC
- BRN
- 1960698
- InChI
- InChI=1S/C8H7NO4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3,(H,10,11)
- InChIKey
- DGDAVTPQCQXLGU-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC=CC(C)=C1[N+]([O-])=O
- CAS DataBase Reference
- 5437-38-7(CAS DataBase Reference)
- EPA Substance Registry System
- 3-Methyl-2-nitrobenzoic acid (5437-38-7)
Safety
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36/37/38-20/21/22
- Safety Statements
- 26-36-36/37/39-22-37
- WGK Germany
- 3
- TSCA
- Yes
- HS Code
- 29163990
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- M60406
- Product name
- 3-Methyl-2-nitrobenzoic acid
- Purity
- 98%
- Packaging
- 25g
- Price
- $30.5
- Updated
- 2023/06/20
- Product number
- M60406
- Product name
- 3-Methyl-2-nitrobenzoic acid
- Purity
- 98%
- Packaging
- 100g
- Price
- $64
- Updated
- 2023/06/20
- Product number
- M1370
- Product name
- 3-Methyl-2-nitrobenzoic Acid
- Purity
- >98.0%(T)
- Packaging
- 25g
- Price
- $63
- Updated
- 2025/07/31
- Product number
- M1370
- Product name
- 3-Methyl-2-nitrobenzoic Acid
- Purity
- >98.0%(T)
- Packaging
- 250g
- Price
- $314
- Updated
- 2025/07/31
- Product number
- N572300
- Product name
- 2-Nitro-m-toluicAcid
- Packaging
- 50g
- Price
- $165
- Updated
- 2021/12/16
3-Methyl-2-nitrobenzoic acid Chemical Properties,Usage,Production
Chemical Properties
white to slightly yellow crystalline powder
Uses
2-Nitro-m-toluic Acid, is a building block used for the synthesis of various compounds. It can be used for the synthesis of novel Indolin-2-one derivatives as protein tyrosine phosphatase 1B inhibitors.
General Description
Prisms or white crystalline solid.
Air & Water Reactions
Insoluble in water.
Reactivity Profile
3-Methyl-2-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
Information concerning the flash point of 3-Methyl-2-nitrobenzoic acid is not available. 3-Methyl-2-nitrobenzoic acid is probably combustible.
Synthesis
5471-82-9
5437-38-7
General procedure for the synthesis of 3-methyl-2-nitrobenzoic acid from methyl 3-methyl-2-nitrobenzoate: To a 250 mL single-neck flask was added 19.5 g of methyl 3-methyl-2-nitrobenzoate, 50 mL of methanol, and 50 mL of 10.1% sodium hydroxide solution, and stirred until completely dissolved. The reaction was carried out at room temperature for 4.0 to 6.0 hours. Upon completion of the reaction, the methanol was removed by concentration via rotary evaporator. Subsequently, the pH of the reaction solution was slowly adjusted with dilute hydrochloric acid to 2 to 3. The resulting precipitate was filtered and washed with deionized water. Finally, the solid product was dried in a vacuum drying oven to afford 14.65 g of white solid 3-methyl-2-nitrobenzoic acid in 80.96% yield and 98.35% purity.
Purification Methods
Recrystallise it from EtOH. The methyl ester has m 74o (from MeOH), and the amide [60310-07-8] M 180.1, has m 192o (needles from H2O, prisms from EtOH). [Beilstein 9 H 480, 9 IV 1722.]
References
[1] Patent: CN106496038, 2017, A. Location in patent: Paragraph 0025; 0027
3-Methyl-2-nitrobenzoic acid Preparation Products And Raw materials
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View Lastest Price from 3-Methyl-2-nitrobenzoic acid manufacturers
- Product
- 3-Methyl-2-nitrobenzoic acid 5437-38-7
- Price
- US $0.00/kg
- Min. Order
- 1kg
- Purity
- 99%min
- Supply Ability
- 20tons
- Release date
- 2025-08-22
- Product
- 3-Methyl-2-nitrobenzoic acid 5437-38-7
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 99.0%
- Supply Ability
- 10000KGS
- Release date
- 2025-05-13
- Product
- 3-Methyl-2-nitrobenzoic acid 5437-38-7
- Price
- US $0.00/Kg/Drum
- Min. Order
- 1KG
- Purity
- 98%min
- Supply Ability
- 500kg
- Release date
- 2021-09-30