Structure and hydrogen bonding pattern in 2,4,6-trichlorobenzoic acid is reportedReactant involved in: · Active-sodium-promoted reductive cleavage of halogenated benzoic acids · Synthesis of aryl aminopyrazole benzamides for use as non-steroidal selective glucocorticoid receptor agonists · Flame retardant monomer synthesis · Synthesis of 3,4,7-trisubstituted coumarins for use as antifungals · Solid-phase synthesis of saphenamycin analogs with antimicrobial activity Cocatalyst for cis-dihydroxylation and epoxidation of alkenes Structure and hydrogen bonding pattern in 2,4,6-trichlorobenzoic acid is reported Reactant involved in: ? Active-sodium-promoted reductive cleavage of halogenated benzoic acids ? Synthesis of aryl aminopyrazole benzamides for use as non-steroidal selective glucocorticoid receptor agonists ? Flame retardant monomer synthesis ? Synthesis of 3,4,7-trisubstituted coumarins for use as antifungals ? Solid-phase synthesis of saphenamycin analogs with antimicrobial activity Cocatalyst for cis-dihydroxylation and epoxidation of alkenes
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2,4,6-trichlorobenzoic acid
Dangerous GoodsCAS number：50-43-1 molecular formula：C7H3Cl3O2
overview
compound introduction
Specs
| Chinese alias | - | ||
| English alias | AM61579 | AC7761 | 2,4,6-Trichlorobenzoicacid | DTXSID9075329 | 2,4,6-TRICHLOROBENZOIC ACID | 2,4,6-Trichloro-benzoic acid | Q27236585 | AKOS015888143 | BP-12597 | T1518 | EN300-134958 | MFCD00060699 | A1724 | AI3-33271 | InChI=1/C7H3Cl3O2/c8-3-1-4(9)6(7( | ||
| CAS number | 50-43-1 | molecular formula | C7H3Cl3O2 |
| molecular weight | 225.5 | Exact mass | ≥98% |
| PSA | 37.3 | logp | 2.9 |
numbering system
| CAS | 50-43-1 |
| UNII | 0BWG1HX6CK |
| Wikidata | Q27236585 |
| ChEMBL ID | CHEMBL566989 |
| PubChem CID | 5764 |
| Nikkaji Number | J55.470G |
| DSSTox Substance ID | DTXSID9075329 |
| European Community (EC) Number | 610-531-5 |
| PubChem Reference Collection SID | 516554611 |
physicochemical properties
| XLogP3 | 2.9 |
| 复杂性 | 173 |
| Exact Mass | 223.919862 |
| 形式电荷 | 0 |
| 重原子计数 | 12 |
| Molecular Weight | 225.5 |
| Monoisotopic Mass | 223.919862 |
| 可旋转键计数 | 1 |
| 氢键供体计数 | 1 |
| 氢键受体计数 | 2 |
| 共价键单元计数 | 1 |
| 同位素原子计数 | 0 |
| 拓扑极性表面积 | 37.3 Ų |
| 定义键立体中心计数 | 0 |
| 定义原子立体中心计数 | 0 |
| 未定义键立体中心计数 | 0 |
| 未定义原子手性中心计数 | 0 |
Safety information
法规信息：
EPA TSCA监管标志：PMN - 表示已开始PMN(制造前通知)物质。
危害类别和分类：
STOT SE 3 (97.8%)
Production methods and uses
purpose
工业应用参考：
工业分类参考：电气机械和器材制造业。
应用场景参考：可延伸到医疗、生物医药、科研院所及第三方检测等专业场景，但具体适用范围仍依赖技术条件 。
作用参考：在电池、电子、信息材料和高端制造等技术方向，常被视为可拓展的功能材料或中间材料 。
选型提示：不同品牌和不同标准体系下的技术参数可能存在差异，应用前应优先核对规格、检测方法和质量要求 。
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upstream information
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downstream information
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MSDS
Found 0 shareMSDS
