1-(Difluoromethoxy)-2-isothiocyanato-4-methylbenzene CAS 832739-27-2
| CAS No. | 832739-27-2 |
| Molecular Formula | C9H7F2NOS |
| Molecular Weight | 215.22 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1-(Difluoromethoxy)-2-isothiocyanato-4-methylbenzene (CAS 832739-27-2) is a high-purity analytical reference standard with the molecular formula C9H7F2NOS and a molecular weight of 215.22 g/mol.
1-(Difluoromethoxy)-2-isothiocyanato-4-methylbenzene (C9H7F2NOS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. Halogen substitution raises its density and boiling point; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | 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)
- 2-(Difluoromethoxy)-1-isothiocyanato-4-methylbenzene (CAS 832739-67-0)
- 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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- N-(3-(difluoromethoxy)benzyl)propan-2-amine (CAS 1095239-83-0)
- 3-(Difluoromethoxy)-N-isobutylaniline (CAS 1153181-16-8)
Recommended Standards
- 1-(5-Fluoro-6-(2-methoxyethoxy)pyridin-2-yl)ethan-1-ol (CAS 2833706-90-2)
- 2-(((3-Fluorophenyl)imino)methyl)phenol (CAS 25059-49-8)
- 1-(4-Fluorophenyl)-2-(pyridin-4-yl)ethan-1-one (CAS 6576-05-2)
- 2-(2-Fluorophenyl)-1-(pyridin-3-yl)ethan-1-one (CAS 958033-36-8)
- (2R)-2-methyl-3-phenylpropanoic acid (CAS 14367-67-0)
- 3,6-dichloro-4-fluoropyridazine (CAS 92920-33-7)
- (3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)(4-nitrophenyl)methanone (CAS 285986-89-2)
- 2-(4-Bromophenyl)propanamide (CAS 917397-89-8)
- (R)-2-(2-chloro-5-methylphenyl)pyrrolidine (CAS 1213430-95-5)
- 1-(2-Chloro-6-nitrophenyl)piperidine (CAS 3970-42-1)
- 1-Amino-2-(4-hydroxyphenyl)cyclopropanecarboxylic acid (CAS 756765-09-0)
- 4-Chloro-3-(2,6-dimethylphenyl)-3-fluoropropiophenone (CAS 898754-96-6)
- 2-(Methylsulfonyl)-1-(pyridin-4-yl)ethan-1-one (CAS 27302-95-0)
- Semaglutide Impurity 121 X Sodium Salt (CAS CATO-C4X-2226121)
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