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Home > Products >  4-Methylsulphonylbenzoic acid

4-Methylsulphonylbenzoic acid CAS NO.4052-30-6

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Keywords

  • 4-Methylsulphonylbenzoic acid
  • Benzoic acid,4-(methylsulfonyl)-
  • 4-Methylsulphonylbenzoic acid factory

Quick Details

  • ProName: 4-Methylsulphonylbenzoic acid
  • CasNo: 4052-30-6
  • Molecular Formula: C8H8O4S
  • Appearance: Yellow liquid or Colorless
  • Application: Intermediate of medicine or perfume ...
  • DeliveryTime: Per request
  • PackAge: 1g, 25kg, 200kg or per request dependi...
  • Port: shanghai ,qingdao ,ningbo
  • ProductionCapacity: 500 Metric Ton/Year
  • Purity: 99.5%，99%
  • Storage: cool and seal
  • Transportation: By express (Door to door) such as FEDE...
  • LimitNum: 1 Gram

Superiority

 Jiaxing Anrui Material Technology Co., Ltd. is a high-tech enterprise that engages in the R&D, technology transfer, technical service, and sales of advanced composite materials covering pharmaceutical, new biological materials, spice, electronic chemicals, and other fields. The company is situated in Jiaxing Technology Innovation Service Center in High-tech Innovation Park, Jiaxing City, Zhejiang. It is formed by experienced professors, doctors, senior engineers, senior technicians, and administrative staffs. The company has hired senior experts and professors as senior technical consultant, and it has highly-qualified R&D team and engineering team. The company has advanced laboratory and analytical equipment, and it established close cooperation relations with Yangtze Delta Region Institute of Tsinghua University Zhejiang, Zhejiang University, Zhejiang University of Technology, East China University of Science and Technology, and other research institutes and colleges for the R&D, pilot and production of new-model flame retardant composite materials, fluorescent materials, spice intermediates, sulfonamide plasticizers, customized chemicals, and other products.
 
    Based on strong technical force, dynamic innovative mechanism, advanced manufacturing technique, first-class production equipment, and efficient quality assurance system, we can assure the customers of high-quality products with high technical content. Until December 2012, the company has declared for and obtained four invention patents (application numbers are 201210515601.7; 201210389466.6; 201210366989.9; 2011110239581.0) given by State Intellectual Property Office. Corporate juridical person has two invention patents (application numbers are 201110146760.X and 201110146644.8).
 
 
    Adhering to operation philosophy of "integrity, specialty and efficiency", the company would like to cooperate with friends at home and abroad for common development!
 
 
 

Details

The IUPAC name of this chemical is 4-methylsulfonylbenzoic acid. With the CAS registry number 4052-30-6 and EINECS 223-756-5, it is also named as Benzoic acid, 4-(methylsulfonyl)-. The product's categories are Acids and Derivatives; Boron, Nitrile, Thio & TM-Cpds; Organic Acids; Carbonyl Compounds; Carboxylic Acids. It is white powder which is harmful if swallowed. So people should avoid contact with skin and eyes. In addition, this chemical should be sealed in the container, stored in the well-ventilated and dry place and avoided direct sunshine.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.3; (4)ACD/LogD (pH 7.4): -2.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 68.82 Å2; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 46.47 cm3; (15)Molar Volume: 143.7 cm3; (16)Polarizability: 18.42×10-24 cm3; (17)Surface Tension: 50.8 dyne/cm; (18)Density: 1.392 g/cm3; (19)Flash Point: 215.3 °C; (20)Enthalpy of Vaporization: 72.54 kJ/mol; (21)Boiling Point: 432.4 °C at 760 mmHg; (22)Vapour Pressure: 3.03E-08 mmHg at 25°C.

Preparation of 4-Methylsulphonylbenzoic acid: It can be obtained by 4-methylsulfanyl-benzaldehyde. This reaction needs reagent sodium perborate tetrahydrate and solvent acetic acid at temperature of 40-50 °C. The yield is 90%.

4-Methylsulphonylbenzoic acid can be obtained by 4-methylsulfanyl-benzaldehyde

Uses of 4-Methylsulphonylbenzoic acid: It can react with (1R)-menthol to get (1S,2S,5R)-1-[4-(methylsulfonyl)benzoyl]-2-(1-methylethyl)-5-methylcyclohexan-1-ol. This reaction needs reagents PPh3, EtO2CN=NCO2Et and solvent benzene. The yield is 61%.

4-Methylsulphonylbenzoic acid can react with (1R)-menthol to get (1S,2S,5R)-1-[4-(methylsulfonyl)benzoyl]-2-(1-methylethyl)-5-methylcyclohexan-1-ol

People can use the following data to convert to the molecule structure.
1. SMILES:O=S(=O)(c1ccc(C(=O)O)cc1)C
2. InChI:InChI=1/C8H8O4S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10) 
3. InChIKey:AJBWNNKDUMXZLM-UHFFFAOYAZ

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