1-(difluoromethoxy)-3-isocyanatobenzene CAS 39139-35-0
| CAS No. | 39139-35-0 |
| Molecular Formula | C8H5F2NO2 |
| Molecular Weight | 185.13 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution, 1-(difluoromethoxy)-3-isocyanatobenzene is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 185.13 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
CATO supplies 1-(difluoromethoxy)-3-isocyanatobenzene (CAS 39139-35-0), a certified reference material (molecular formula C8H5F2NO2, MW 185.13 g/mol) for analytical method development and quality control.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
As a certified reference material (CRM), 1-(difluoromethoxy)-3-isocyanatobenzene meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C8H5F2NO2 |
| Molecular Weight | 185.13 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1968 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related difluoromethoxy Standards
- 2-(Difluoromethoxy)pyrazine-6-acetonitrile (CAS 1261475-75-5)
- 2-(Difluoromethoxy)-6-hydroxybenzonitrile (CAS 1261483-45-7)
- 4-(Difluoromethoxy)-3-hydroxybenzonitrile (CAS 1261823-17-9)
- 1-(Difluoromethoxy)-2-isocyanatobenzene (CAS 186589-03-7)
- 1-(Difluoromethoxy)-4-isocyanatobenzene (CAS 58417-15-5)
- 5-(Difluoromethoxy)indoline (CAS 954278-23-0)
- 7-(Difluoromethoxy)indoline (CAS 953757-86-3)
- 5-(Difluoromethoxy)-1H-indazole (CAS 105391-65-9)
Recommended Standards
- (E)-1,2-Difluoro-3-(2-nitrovinyl)benzene (CAS 934625-92-0)
- 1-(Difluoromethyl)-5-(1H-imidazol-5-yl)-1H-1,2,4-triazole (CAS 2845318-36-5)
- 4-(2,2-Difluoroethoxy)pyrimidine-5-carbonitrile (CAS 1862740-97-3)
- 2-(3-Nitrofuran-2-yl)-1,3-dioxolane (CAS 65019-13-8)
- (S)-3-amino-2-(3-chlorobenzyl)propanoic acid hydrochloride (CAS 914644-47-6)
- Fmoc-4-trifluoromethyl-L-homophenylalanine (CAS 1260591-49-8)
- (E)-3-((3-(2,5-dichlorothiophen-3-yl)-3-oxoprop-1-en-1-yl)amino)benzonitrile (CAS 338402-44-1)
- 4-(2-Aminoethyl)tetrahydro-2H-pyran-4-ol (CAS 910448-68-9)
- 16α,17-Epoxypregna-4,9(11)-diene-3,20-dione (CAS 94088-90-1)
- Biotin Impurity 1((+)-Biotin (+)-Sulfoxide) (CAS 10406-89-0)
- 4-(N,N-Dimethylsulfamoyl)-N-(4-(pyridin-2-yl)thiazol-2-yl)benzamide (CAS 476317-43-8)
- n-(3-Iodophenyl)-4-(thiophen-2-yl)butanamide (CAS 876676-13-0)
- 4-(N,N-dimethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid (CAS 716361-62-5)
- D-Gln19-Tirzepatide (CAS CATO-CPTD788915)
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