3-[(2-Chlorophenyl)methyl]-8-fluoro-3H,4H,5H-pyrimido[5,4-b]indol-4-one CAS 1031557-91-1
| CAS No. | 1031557-91-1 |
| Molecular Formula | C17H11ClFN3O |
| Molecular Weight | 327.74 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 3-[(2-Chlorophenyl)methyl]-8-fluoro-3H,4H,5H-pyrimido[5,4-b]indol-4-one.
3-[(2-Chlorophenyl)methyl]-8-fluoro-3H,4H,5H-pyrimido[5,4-b]indol-4-one (CAS 1031557-91-1), molecular formula C17H11ClFN3O and molecular weight 327.74 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C17H11ClFN3O, 3-[(2-Chlorophenyl)methyl]-8-fluoro-3H,4H,5H-pyrimido[5,4-b]indol-4-one contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 327.74 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 3-[(2-Chlorophenyl)methyl]-8-fluoro-3H,4H,5H-pyrimido[5,4-b]indol-4-one 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 | C17H11ClFN3O |
| Molecular Weight | 327.74 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
Related Chlorophenyl Standards
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Recommended Standards
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- 7-Benzyl-4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CAS 647863-01-2)
- 3-(Benzyloxy)-5-nitrobenzenesulfonyl chloride (CAS 1393546-64-9)
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- Tert-butyl (2S,4S)-2-(aminomethyl)-4-hydroxy-2-phenethylpyrrolidine-1-carboxylate (CAS 2566693-72-7)
- Methyl 3-fluoro-5-(trifluoromethoxy)benzoate (CAS 1806334-89-3)
- Calcitriol Impurity 15 (CAS 132054-64-9)
- n-Cyclopropyl-N-phenylmethanesulfonamide (CAS 1249531-29-0)
- 4-Fluoro-3-(trifluoromethyl)benzenesulfonyl Chloride (CAS 1682-10-6)
- 1-Chloro-2-(chloromethyl)-3-(trifluoromethyl)benzene (CAS 1228898-68-7)
- 2,2,2-Trichloroethanol (CAS 115-20-8)
- N'-(3-methylbenzoyl)thieno[2,3-b]quinoline-2-carbohydrazide (CAS 478079-53-7)
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