Pentafluorophenyl isocyanate CAS 1591-95-3
| CAS No. | 1591-95-3 |
| Molecular Formula | C7H6F5NO |
| Molecular Weight | 215.12 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Pentafluorophenyl isocyanate (CAS 1591-95-3), molecular formula C7H6F5NO and molecular weight 215.12 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to an amide group, a hydroxyl group, an ether linkage, fluorine substitution, Pentafluorophenyl isocyanate is typically white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 215.12 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
CATO manufactures Pentafluorophenyl isocyanate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C7H6F5NO |
| Molecular Weight | 215.12 g/mol |
| Appearance | 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 |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1957 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Pentafluorophenyl Standards
- S(-)-1-(pentafluorophenyl)ethanol (CAS 104371-20-2)
- 1-(Pentafluorophenyl)ethanol, 97% (CAS 75853-08-6)
- 2-(Pentafluorophenyl)ethanol (CAS 653-31-6)
- n-[(pentafluorophenyl)methylidene]hydroxylamine (CAS 19292-27-4)
- 1-(pentafluorophenyl)propan-2-one (CAS 19225-86-6)
- 2,3,4,5,6-Pentafluorophenyl isothiocyanate (CAS 35923-79-6)
- 2-(pentafluorophenyl)propanedinitrile (CAS 719-38-0)
- Methyl Pentafluorophenyl Carbonate (CAS 36919-03-6)
Recommended Standards
- 1-Chloro-4-(4-chloropent-4-en-1-yl)benzene (CAS 1143461-30-6)
- 1-Methyl-4-nitro-1H-pyrazole-3,5-dicarboxylic acid (CAS 159427-77-7)
- 2-Chloro-5-(3-chlorophenyl)-1-pentene (CAS 1143461-26-0)
- 1-(Carboxymethyl)-3-nitro-1h-pyrazole-5-carboxylic acid (CAS 956439-56-8)
- Methyl 2,4-dibromo-5-methoxybenzoate (CAS 875246-05-2)
- 6-Hydroxy-2-(methylthio)-5-(phenylamino)pyrimidin-4(3H)-one (CAS 92290-01-2)
- 1110AE 2-(4-Chlorophenoxy)-5-(trifluoromethyl)aniline 349-20-2 C13H9ClF3NO (CAS 349-20-2)
- Isopropyl (E)-3-(furan-2-yl)-2-phenylacrylate (CAS 885952-43-2)
- 5-Bromo-2-(1-(4-fluorophenyl)-1H-pyrazol-5-yl)phenol (CAS 1202029-81-9)
- 2-Bromo-4-hydroxy-3-(trifluoromethyl)pyridine (CAS 1211587-86-8)
- 2-(2-Bromo-5-(difluoromethyl)pyridin-4-yl)acetonitrile (CAS 1805311-17-4)
- 2-methyl-2-(2-oxocyclopentyl)propanenitrile (CAS 29777-64-8)
- Ethyl 3-amino-6-chloro-2-fluorobenzoate (CAS 1103234-34-9)
- Neuropeptide Y (13-36) (porcine) (CAS 113662-54-7)
Why CATO?
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