5345-27-7

5345-27-7 - Names and Identifiers

Name	3-(Methylsulfonyl)benzoic acid
Synonyms	3-Methylsulfonyl RARECHEM AL BO 2292 TIMTEC-BB SBB005804 3-Mesylbenzoic acid 3-(methylsulfonyl)benzoate m-Methylsulfonylbenzoic acid 3-Methylsulfonylbenzoic acid 3-METHYLSULPHONYLBENZOIC ACID 3-(Methylsulfonyl)benzoic acid 3-(METHYLSULFONYL)BENZOIC ACID Benzoic acid, 3-(methylsulfonyl)- (6Z)-6-({[4-(1H-benzimidazol-2-yl)phenyl]amino}methylidene)-4,5-dibromo-2-ethoxycyclohexa-2,4-dien-1-one
CAS	5345-27-7
InChI	InChI=1/C8H8O4S/c1-13(11,12)7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)/p-1

5345-27-7 - Physico-chemical Properties

Molecular Formula	C8H8O4S
Molar Mass	200.21
Density	1.4787 (rough estimate)
Melting Point	230-238 °C
Boling Point	230-238°C
Flash Point	230.7°C
Vapor Presure	3.55E-09mmHg at 25°C
Appearance	Powder
Color	White to very slightly yellow
pKa	pK1:3.52 (25°C)
Storage Condition	Sealed in dry,Room Temperature
Sensitive	Moisture Sensitive
Refractive Index	1.5500 (estimate)
MDL	MFCD00216488

5345-27-7 - Risk and Safety

Hazard Symbols	Xi - Irritant
Risk Codes	41 - Risk of serious damage to eyes
Safety Description	S24/25 - Avoid contact with skin and eyes. S39 - Wear eye / face protection. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
HS Code	29163990
Hazard Note	Irritant

5345-27-7 - Introduction

3-(Methylsulfonyl)benzoic acid, also known as 3-(Methylsulfonyl)benzoic acid, is an organic compound. Its chemical formula is C8H8O4S and its molecular weight is 208.22g/mol.

Nature:
3-(Methylsulfonyl)benzoic acid is a white to pale yellow crystalline solid. It is soluble in many organic solvents, such as alcohols, ethers and ketones. It is strongly acidic and soluble in alkali. Stable at room temperature, but easy to decompose under the action of heat, light or oxidant.

Use:
3-(Methylsulfonyl)benzoic acid has a variety of uses in the chemical and pharmaceutical industries. It can be used as an intermediate in organic synthesis and is widely used in the synthesis of other organic compounds. In addition, it can also be used as a raw material for certain drugs, such as non-steroidal anti-inflammatory drugs and anti-epileptic drugs.

Preparation Method:
3-(Methylsulfonyl)benzoic acid has many preparation methods, the common ones are as follows:
1.3-methyl benzoyl chloride is reacted with sulfonyl chloride to obtain 3-(methyl sulfonyl) benzoyl chloride, which is then reacted with sodium carbonate to generate 3-(Methylsulfonyl)benzoic acid.
2. Oxidation of 3-(methylsulfonyl) benzaldehyde with an oxidant to give 3-(Methylsulfonyl)benzoic acid.

Safety Information:
3-(Methylsulfonyl)benzoic acid has a certain irritation, pay attention to avoid skin and eye contact. Use the appropriate protective equipment, such as gloves, protective glasses. Avoid inhaling its dust or vapors of mixed liquids. Storage should be kept in a dry, well-ventilated place. If inhaled or ingested by mistake, seek medical help immediately.

Last Update：2024-04-09 15:17:58