Name | 2-Chloro-4-methylsulfonylbenzoic acid |
Synonyms | TIMTEC-BB SBB003254 RARECHEM AL BE 1445 2-Chlor-4-(methylsulfonyl)benzoesure 2-Chloro-4-methylsulfonylbenzoic acid 2-CHLORO-4-METHYLSULPHONYLBENZOIC ACID 2-Chloro-4-methylsulphonylbenzoic acid 2-CHLORO-4-(METHYLSULFONYL)BENZOIC ACID 2-Chloro-4-(methylsulfonyl)benzoic acid 2-CHLORO-4-(METHANESULFONYL)BENZOIC ACID 2-CHLORO-4-(METHYLSULFONYL)BENZOIC ACID (DRY BASIS) |
CAS | 53250-83-2 |
EINECS | 406-520-8 |
InChI | InChI=1/C8H7ClO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11) |
Molecular Formula | C8H7ClO4S |
Molar Mass | 234.66 |
Density | 1.4452 (estimate) |
Melting Point | 192-193 °C |
Boling Point | 454.8±45.0 °C(Predicted) |
Flash Point | 228.8°C |
Vapor Presure | 4.62E-09mmHg at 25°C |
Appearance | White Crystal |
Color | White to light yellow or light pink |
pKa | 2.09±0.25(Predicted) |
Storage Condition | Sealed in dry,Room Temperature |
Refractive Index | 1.572 |
MDL | MFCD00216496 |
Physical and Chemical Properties | Appearance: white crystalline powder
Melting Point: 191~193 ℃ |
Use | Used as an intermediate in organic synthesis |
Hazard Symbols | Xi - Irritant |
Risk Codes | R41 - Risk of serious damage to eyes R36/37/38 - Irritating to eyes, respiratory system and skin. |
Safety Description | S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S22 - Do not breathe dust. S39 - Wear eye / face protection. |
HS Code | 29309090 |
Hazard Note | Irritant |
Chemical properties | the product is white crystal, insoluble in water, soluble in toluene, dichloromethane and other organic solvents. |
Use | 2-chloro-4-methylsulfonylbenzoic acid is an intermediate of the herbicides sulfonones and nitrones. used as intermediate in organic synthesis organic intermediate. |
production method | the preparation method is to add 2-chloro-4-sulfonyl chlorobenzoyl chloride Dropwise to the aqueous solution of sodium sulfite and sodium bicarbonate at a reaction temperature of 40 ℃, reaction at the temperature of 3H, then rose to 75 deg C, then add chloroacetic acid and a small amount of sodium hydroxide, Reflux reaction at 105 deg C for 21h, cooling, acidified to pH = 1, the resulting crystals were filtered, the product was dried. Either oxidation with nitric acid with 2-chloro-4-methylsulfonyltoluene or with air in the presence of a cobalt salt as a catalyst gives the product. |