2-(Difluoromethoxy)-1-isothiocyanato-4-methylbenzene CAS 832739-67-0
| CAS No. | 832739-67-0 |
| Molecular Formula | C9H7F2NOS |
| Molecular Weight | 215.22 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.
2-(Difluoromethoxy)-1-isothiocyanato-4-methylbenzene (CAS 832739-67-0), molecular formula C9H7F2NOS and molecular weight 215.22 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-(Difluoromethoxy)-1-isothiocyanato-4-methylbenzene (C9H7F2NOS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 215.22 g/mol, it falls into the medium-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C9H7F2NOS |
| Molecular Weight | 215.22 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Difluoromethoxy Standards
- 7-(Difluoromethoxy)-2-methylbenzo[d]thiazole (CAS 1261458-39-2)
- 1-(Difluoromethoxy)-2-isothiocyanato-4-methylbenzene (CAS 832739-27-2)
- n-(2-(Difluoromethoxy)benzyl)propan-1-amine (CAS 1016721-72-4)
- n-(4-(Difluoromethoxy)benzyl)propan-2-amine (CAS 1019528-43-8)
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Recommended Standards
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- 4-chlorophenylhydroxylamine (CAS 823-86-9)
- 5-(Bis(ethylthio)methyl)-2H-tetrazole (CAS 338975-36-3)
- 4-(3-fluorophenoxy)piperidine (CAS 3202-35-5)
- 0497AF 1,1-Dimethyl-2-(4-methyl-piperazin-1-yl)-ethylamine 84725-48-4 C9H21N3 (CAS 84725-48-4)
- 1-((5-(tert-Butyl)oxazol-2-yl)methyl)-1H-pyrazole-4-carbonitrile (CAS 1355179-68-8)
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