4-[(2,2,2-Trifluoroethyl)sulfanyl]benzoyl chloride CAS 1706430-00-3
| CAS No. | 1706430-00-3 |
| Molecular Formula | C9H6ClF3OS |
| Molecular Weight | 254.66 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
4-[(2,2,2-Trifluoroethyl)sulfanyl]benzoyl chloride (CAS 1706430-00-3), molecular formula C9H6ClF3OS and molecular weight 254.66 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4-[(2,2,2-Trifluoroethyl)sulfanyl]benzoyl chloride (C9H6ClF3OS) contains sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 254.66 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C9H6ClF3OS |
| Molecular Weight | 254.66 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1994 |
| Halogen Content | F/Cl-containing |
| Sulfur Atoms | 1 |
Related Trifluoroethyl Standards
- 3-[(2,2,2-Trifluoroethyl)sulfanyl]benzoyl chloride (CAS 1706430-16-1)
- 2,2,2-Trifluoroethyl (5-chloropyridin-2-yl)carbamate (CAS 1087788-67-7)
- 2,2,2-trifluoroethyl N-(2-chloropyridin-3-yl)carbamate (CAS 1354963-28-2)
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- 4-(4-(2,2,2-Trifluoroethyl)piperazin-1-yl)butanoic acid (CAS 1284096-45-2)
- 2,2,2-Trifluoroethyl n-[3-(pyrrolidin-1-yl)propyl]carbamate (CAS 1306603-23-5)
- 2,2,2-Trifluoroethyl (4,5-dimethylthiazol-2-yl)carbamate (CAS 1306606-07-4)
- 2,2,2-Trifluoroethyl 4-methylbenzenesulfonate (CAS 433-06-7)
Recommended Standards
- 2-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)ethanethioamide (CAS 1672655-85-4)
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- (5-Chloro-2-fluorophenyl)(3-fluorophenyl)methanol (CAS 1711378-56-1)
- 4'-Chloro-2,3-difluoro-2'-methoxy-1,1'-biphenyl (CAS 1261755-51-4)
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- 4-hydroxy-2-methylbenzenesulfonic acid (CAS 7134-05-6)
- 4,4'-Bis(trifluoromethyl)-2,2'-bipyridinebis[3,5-difluoro-2-[5-methyl-2-pyridinyl)phenyl] iridium(III) hexafluorophosphate (CAS 2229858-27-7)
- 3-Methyl-6,7-dihydro-1H-indazol-4(5H)-one (CAS 63446-38-8)
- D-Cys8 Etelcalcetide (CAS CATO-C4X-324731)
- 1-(3-((2-Chlorobenzyl)sulfonyl)-2-hydroxypropyl)pyrrolidin-2-one (CAS 400083-33-2)
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- 4-(5-Bromopyrimidin-4-yl)morpholine (CAS 84539-22-2)
- Liraglutide(8-31)TFA Salt (CAS CATO-C4X-19922)
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