2-(Difluoromethylthio)benzoyl chloride CAS 79676-60-1
| CAS No. | 79676-60-1 |
| Molecular Formula | C8H5ClF2OS |
| Molecular Weight | 222.64 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C8H5ClF2OS, 2-(Difluoromethylthio)benzoyl chloride contains sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 222.64 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
2-(Difluoromethylthio)benzoyl chloride (CAS 79676-60-1), molecular formula C8H5ClF2OS and molecular weight 222.64 g/mol, is a CATO reference standard with documented purity and traceability.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C8H5ClF2OS |
| Molecular Weight | 222.64 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.) | 1979 |
| Halogen Content | F/Cl-containing |
| Sulfur Atoms | 1 |
Related Difluoromethylthio Standards
Recommended Standards
- 1-Chloro-4-(4-fluorophenoxy)benzene (CAS 38695-07-7)
- 2-Chloro-4-(4-fluorophenyl)phenol (CAS 860616-69-9)
- 1-Chloro-3-(3-fluorophenoxy)benzene (CAS 38695-08-8)
- 1-Chloro-2-(4-fluorophenoxy)benzene (CAS 207741-06-8)
- 4-Chloro-2-methylquinolin-7-ol (CAS 148018-30-8)
- Methyl 4-(2-((2-(cyclohex-1-en-1-yl)ethyl)amino)-2-oxoacetamido)benzoate (CAS 923091-56-9)
- (2R,4R)-3-Acetyl-2-phenylthiazolidine-4-carboxylic acid (CAS 69739-21-5)
- 4-(8-Bromo-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)but-3-en-2-one (CAS 1344857-82-4)
- Apixaban Impurity 15 (CAS CATO-C4X-108815)
- 1-Octyl-5-oxopyrrolidine-3-carboxylic acid (CAS 58505-91-2)
- (R)-4-amino-4-phenylbutan-1-ol (CAS 1213321-70-0)
- 4-(4-Chlorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid (CAS 1009354-95-3)
- 81201-86-7 L-Phenylalanine-1-13C L-Phenylalanine-carboxy-13C (CAS 81201-86-7)
- Semaglutide Impurity 137 (x TFA Salt) (CAS CATO-C4X-2226137)
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