1-Chloro-6-fluoroisoquinoline CAS 214045-86-0
| CAS No. | 214045-86-0 |
| Molecular Formula | C9H5ClFN |
| Molecular Weight | 181.59 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1-Chloro-6-fluoroisoquinoline is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 1-Chloro-6-fluoroisoquinoline (CAS 214045-86-0), a certified reference material (molecular formula C9H5ClFN, MW 181.59 g/mol) for analytical method development and quality control.
Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/chlorine substitution, 1-Chloro-6-fluoroisoquinoline is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 181.59 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.
As a certified reference material (CRM), 1-Chloro-6-fluoroisoquinoline 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 | C9H5ClFN |
| Molecular Weight | 181.59 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 |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2018 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
Related Chloro Standards
- 7-Chloro-4-fluoroquinoline (CAS 103526-68-7)
- 3-Chloro-6-fluoroisoquinoline, 97% (CAS 1041423-28-2)
- 5-Chloro-8-fluoroisoquinoline (CAS 1076-18-2)
- 3-Chloro-1-fluoroisoquinoline (CAS 1076-37-5)
- 7-Chloro-8-fluoroquinoline (CAS 1133116-09-2)
- (Z)-3-chloro-3-(3-fluorophenyl)acrylonitrile (CAS 1192875-03-8)
- 4-Chloro-5-fluoroquinoline (CAS 1229037-03-9)
- 2-Chloro-3-fluoroquinoline (CAS 124467-21-6)
Recommended Standards
- 1-Chloro-5-fluoroisoquinoline (CAS 435278-02-7)
- 1-Chloro-7-fluoroisoquinoline (CAS 630422-89-8)
- 7-Chloro-5-fluoroisoquinoline (CAS 1935390-05-8)
- 2-Chloro-2-Fluoro-1-(4-Morpholinyl)Ethanone (CAS 27074-60-8)
- 1-(5-Oxo-2,5-dihydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione (CAS 41473-41-0)
- (1S,4R)-2-(tert-butoxycarbonyl)-2-azabicyclo[2.2.1]Heptane-4-carboxylic acid (CAS 2031259-82-0)
- 4-Methyl-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid (CAS 1000342-75-5)
- Potassium (1,4-dioxan-2-yl)trifluoroborate (CAS 1391850-42-2)
- 1-Ethenyl-3-phenylmethoxybenzene (CAS 173098-21-0)
- Methyl 4-(4-formyl-2-methoxyphenoxymethyl)benzoate (CAS 351336-10-2)
- 7-Hydroxy-4-methyl-3,4-dihydro-2h-1-benzopyran-2-one (CAS 19484-75-4)
- 2-(Fluoromethyl)benzoic acid (CAS 1378842-38-6)
- 4,6-Dichloronicotinonitrile (CAS 166526-03-0)
- Semaglutide impurity 201 (CAS CATO-C4X-2226201)
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