51163-28-1 1-Chloro-2-fluoro-4-isocyanatobenzene MFCD12546906 4-Chloro-2-fluorophenyl isocyanate CAS 51163-28-1
| CAS No. | 51163-28-1 |
| Molecular Formula | C7H3ClFNO |
| Molecular Weight | 171.56 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 51163-28-1 1-Chloro-2-fluoro-4-isocyanatobenzene MFCD12546906 4-Chloro-2-fluorophenyl isocyanate is closely related to an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
51163-28-1 1-Chloro-2-fluoro-4-isocyanatobenzene MFCD12546906 4-Chloro-2-fluorophenyl isocyanate (CAS 51163-28-1) is a high-purity analytical reference standard with the molecular formula C7H3ClFNO and a molecular weight of 171.56 g/mol.
Owing to an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, an aromatic ring system, 51163-28-1 1-Chloro-2-fluoro-4-isocyanatobenzene MFCD12546906 4-Chloro-2-fluorophenyl isocyanate is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 171.56 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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).
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.
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 | C7H3ClFNO |
| Molecular Weight | 171.56 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 |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1971 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
Related Chloro Standards
- 2-Chloro-4-fluoro-1-isocyanatobenzene (CAS 1016788-39-8)
- 6-Chloro-8-fluoro-[1,2,4]triazolo[4,3-a]pyridine (CAS 1020253-21-7)
- 2-Chloro-4-fluorobenzoxazole (CAS 1163123-39-4)
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- 3-Chloro-7-fluorobenzo[d]isoxazole (CAS 1352899-19-4)
Recommended Standards
- 2-CHLORO-1-FLUORO-4-ISOCYANATO-BENZEN 2-CHLORO-1-FLUORO-4-ISOCYANATOBENZENE 3-Chloro-4-fluorophenyl isocyanate 50529-33-4 AS04360 OTAVA-BB 1055583 (CAS 50529-33-4)
- 1-chloro-2-fluoro-3-isocyanatobenzene 3-Chloro-2-fluoro-1-isocyanatobenzene 69922-25-4 (CAS 69922-25-4)
- 7-Chloro-2-fluoropyrazolo[1,5-a]pyrimidine (CAS 2306273-00-5)
- 3-chloro-5-fluoro-1H-pyrazolo[3,4-b]pyridine (CAS 1935343-92-2)
- (4-Oxo-4h-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-yl)methyl 2-(6,7-dihydro-5h-indeno[5,6-b]furan-3-yl)acetate (CAS 852398-92-6)
- 5-Cyclopropoxy-N,N-dimethylpicolinamide (CAS 1243390-54-6)
- 1-(2-Methoxy-5-(trifluoromethyl)pyridin-3-yl)ethan-1-one (CAS 944900-51-0)
- Methyl 3-(3-(diisopropylamino)-1-phenylpropyl)-4-hydroxybenzoate (CAS 214601-16-8)
- [2,2′-Bipyridin]-6(1H)-one, 5′-fluoro- (CAS 2759197-53-8)
- 4-(4-tert-Butylphenoxy)-2-{[(4-methylphenyl)methyl]sulfanyl}-5,6,7,8-tetrahydroquinazoline (CAS 551921-45-0)
- 2-(4-Methoxybenzyl)-2-methylcyclopropan-1-amine (CAS 1340102-38-6)
- (R)-1-(3-chloro-5-fluorophenyl)propan-1-amine (CAS 1212961-48-2)
- Methyl 2-(2-(3-bromo-4-fluorophenyl)acetyl)nicotinate (CAS 1036402-42-2)
- Myristoyl Pentapeptide -4 acetate (CAS 959610-30-1(free base))
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