3-(三氟甲硫基)苯甲酸，CAS 登记号 946-65-6，由济南圣和化工有限公司现货供应，可提供纯度 按批次COA提供(不公开发布) 的规格，下游主要用于有机化学品。支持样品与小批量试用，批量价格请联系我们获取，验收以批次 COA 为准。
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3-(trifluoromethylthio)benzoic acid · CAS 946-65-6 · C8H5F3O2S. UNII ST50825727. Ionization Efficiency: 1.28; Ionization Efficiency: 10.5; Ionization Efficiency: MeCN (80%).
| CAS Registry Number | 946-65-6 |
|---|---|
| PubChem CID | 688330 |
| Molecular formula | C8H5F3O2S |
| IUPAC name | 3-(trifluoromethylsulfanyl)benzoic acid |
| UNII (FDA) | ST50825727 |
| Molecular Weight | 222.19 |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 221.99623506 |
| Monoisotopic Mass | 221.99623506 |
| Topological Polar Surface Area | 62.6 |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Ionization Efficiency | 1.28 |
|---|---|
| Ionization Efficiency | 10.5 |
| Ionization Efficiency | MeCN (80%) |
| Reported hazard statements | H315 (100%), H319 (100%), H335 (100%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
3-(Trifluoromethylthio)benzoic acid; 946-65-6; DTXSID20350877; RefChem:276084; DTXCID60301944; 623-060-5; 3-((Trifluoromethyl)thio)benzoic acid; 3-[(trifluoromethyl)sulfanyl]benzoic acid; 3-(trifluoromethylsulfanyl)benzoic Acid; MFCD00236337; 3-[(Trifluoromethyl)sulphanyl]benzoic acid; 3-Trifluoromethylsulfanyl-benzoic acid; Benzoic acid, 3-[(trifluoromethyl)thio]-; rarechem al bo 0859; SCHEMBL879988; CHEMBL303005
CAS 946-65-6; molecular formula C8H5F3O2S; molecular weight — g/mol.
3-(Trifluoromethylthio)benzoic acid, 946-65-6, DTXSID20350877, RefChem:276084, DTXCID60301944, 623-060-5.
Hazard statements reported: H315, H319, H335.
Ionization Efficiency: 1.28; Ionization Efficiency: 10.5; Ionization Efficiency: MeCN (80%).
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.