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CAS NO.53250-83-2
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| 2-Chloro-4-methylsulphonylbenzoic acid Basic information |
| Product Name: | 2-Chloro-4-methylsulphonylbenzoic acid |
| Synonyms: | TIMTEC-BB SBB003254;RARECHEM AL BE 1445;2-CHLORO-4-METHYLSULPHONYLBENZOIC ACID;2-CHLORO-4-(METHYLSULFONYL)BENZOIC ACID;2-CHLORO-4-(METHANESULFONYL)BENZOIC ACID;2-Chlor-4-(methylsulfonyl)benzoesure;2-CHLORO-4-(METHYLSULFONYL)BENZOIC ACID (DRY BASIS);2-Chloro-4-(methylsulfonyl)benzoic acid, 95% (dry basis) |
| CAS: | 53250-83-2 |
| MF: | C8H7ClO4S |
| MW: | 234.66 |
| EINECS: | 406-520-8 |
| Product Categories: | Carboxylic Acids;Phenyls & Phenyl-Het;Carboxylic Acids;Phenyls & Phenyl-Het |
| Mol File: | 53250-83-2.mol |
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| 2-Chloro-4-methylsulphonylbenzoic acid Chemical Properties |
| mp | 192-193 °C |
| CAS DataBase Reference | 53250-83-2(CAS DataBase Reference) |
| Safety Information |
| Hazard Codes | Xi |
| Risk Statements | 41-36/37/38 |
| Safety Statements | 36/37/39-26-22-39 |
| Hazard Note | Irritant |
| Molecular Weight | 234.65678 g/mol |
|---|---|
| Molecular Formula | C8H7ClO4S |
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 233.975357 g/mol |
| Monoisotopic Mass | 233.975357 g/mol |
| Topological Polar Surface Area | 79.8 A^2 |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 319 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |