2-Nitro-4-methylsulfonylbenzoic acid
- Product Name
- 2-Nitro-4-methylsulfonylbenzoic acid
- CAS No.
- 110964-79-9
- Chemical Name
- 2-Nitro-4-methylsulfonylbenzoic acid
- Synonyms
- 4-(Methylsulfo;RARECHEM AL BE 1440;Phloroglucinol Impurity 137;2-Nitro-4-methylsulfonylbenzoicaci;2-NITRO-4-METHYLSULFONYLBENZOIC ACID;4-METHYLSULPHONYL-2-NITROBENZOIC ACID;O-Nitro-P-Methylsulfonyl Benzoic Acid;4-Methanesulfonyl-2-nitrobenzoic acid;4-(METHYLSULFONYL)-2-NITROBENZOIC ACID;Benzoicacid, 4-(methylsulfonyl)-2-nitro-
- CBNumber
- CB4165136
- Molecular Formula
- C8H7NO6S
- Formula Weight
- 245.21
- MOL File
- 110964-79-9.mol
2-Nitro-4-methylsulfonylbenzoic acid Property
- Melting point:
- 211-212
- Boiling point:
- 497.8±45.0 °C(Predicted)
- Density
- 1.576
- vapor pressure
- 0Pa at 25℃
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 1.51±0.25(Predicted)
- color
- Pale Yellow
- InChI
- InChI=1S/C8H7NO6S/c1-16(14,15)5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)
- InChIKey
- QNOUABMNRMROSL-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC=C(S(C)(=O)=O)C=C1[N+]([O-])=O
- LogP
- -0.52 at 22℃ and pH2.4-2.8
- Surface tension
- 72.7mN/m at 1g/L and 20℃
- CAS DataBase Reference
- 110964-79-9(CAS DataBase Reference)
- EPA Substance Registry System
- Benzoic acid, 4-(methylsulfonyl)-2-nitro- (110964-79-9)
Safety
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2916399090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
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.
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P337+P313IF eye irritation persists: Get medical advice/attention.
N-Bromosuccinimide Price
- Product number
- M3146
- Product name
- 4-Methylsulfonyl-2-nitrobenzoic Acid
- Packaging
- 5G
- Price
- $20
- Updated
- 2025/07/31
- Product number
- M3146
- Product name
- 4-Methylsulfonyl-2-nitrobenzoic Acid
- Packaging
- 25G
- Price
- $55
- Updated
- 2025/07/31
- Product number
- M326655
- Product name
- 4-Methylsulfonyl-2-nitrobenzoic Acid
- Packaging
- 25g
- Price
- $155
- Updated
- 2021/12/16
- Product number
- 60269
- Product name
- 4-Methylsulfonyl-2-nitrobenzoic Acid
- Packaging
- 25g
- Price
- $625
- Updated
- 2021/12/16
- Product number
- CHM0026245
- Product name
- 4-METHYLSULFONYL-2-NITROBENZOIC ACID
- Purity
- 95.00%
- Packaging
- 5G
- Price
- $783.09
- Updated
- 2021/12/16
2-Nitro-4-methylsulfonylbenzoic acid Chemical Properties,Usage,Production
Chemical Properties
Pale Yellow Solid
Uses
4-Methylsulfonyl-2-nitrobenzoic acid is a metabolite of Mesotrione.
Synthesis
1671-49-4
110964-79-9
The general procedure for the synthesis of 2-nitro-4-methylsulfonylbenzoic acid from 2-nitro-4-methylsulfonyltoluene was as follows: 600.00 g of sulfuric acid with a mass fraction of 70% was added to a 1000 mL glass reactor, and a self-priming mixing device was activated. Subsequently, 97.83 g of 2-nitro-4-methylsulfonyltoluene with 99% purity and 1.95 g of vanadium pentoxide powder with 98% purity were added to the reactor and stirred continuously for 10 minutes. A condensation receiver with exhaust gas absorption was installed. The reaction system was rapidly heated to 140°C, and 230 g of nitric acid with a mass fraction of 68% was slowly added, while the oxygen feed rate was controlled to be 0.1 g/min, and the acceleration rate of the nitric acid droplet was 0.383 g/min, and the droplet addition was completed in about 10 hours. After completion of the dropwise addition, the reaction temperature is maintained at 140°C and stirring is continued until the mass fraction of unreacted 2-nitro-4-methylsulfonyltoluene is reduced to 1% or less (about 1 hour from the end of the dropwise addition to the completion of the reaction). The reaction solution was slowly cooled to 10-20°C with stirring and the product was separated by filtration. The filter cake was washed three times with 150 g of water and dried to give 110.20 g of 2-nitro-4-methylsulfonylbenzoic acid in 98.10% purity and 98.0% yield. 205 g of nitric acid with a mass fraction of 60% was recovered, which could be reused after evaporation and concentration. The small amount of nitrogen oxide exhaust gas generated during the reaction process was treated by air oxidation and absorption through an absorption device equipped with a 32% mass concentration of sodium hydroxide solution.
References
[1] Patent: CN105669504, 2016, A. Location in patent: Paragraph 0011
[2] Patent: CN104557639, 2017, B. Location in patent: Paragraph 0010; 0026-0033; 0036-0037
[3] Patent: CN108530326, 2018, A. Location in patent: Paragraph 0021-0042
[4] Patent: CN106496079, 2017, A. Location in patent: Paragraph 0031; 0032; 0033; 0034; 0035; 0036; 0037-0052
[5] Patent: WO2004/58698, 2004, A1. Location in patent: Page/Page column 9
2-Nitro-4-methylsulfonylbenzoic acid Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 2-Nitro-4-methylsulfonylbenzoic acid manufacturers
- Product
- 2-Nitro-4-methylsulfonylbenzoic acid 110964-79-9
- Price
- US $100.00-1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- g-kg-tons, free sample is available
- Release date
- 2023-12-25
- Product
- 2-Nitro-4-Methylsulfonylbenzoic acid 110964-79-9
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 99.0%+
- Supply Ability
- 100 tons
- Release date
- 2020-01-07
- Product
- 2-Nitro-4-methylsulfonylbenzoic acid 110964-79-9
- Price
- US $2.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- Ask
- Release date
- 2018-12-18