3-(3-(Trifluoromethyl)benzyl)benzofuro[3,2-d]pyrimidin-4(3H)-one CAS 849055-55-6
| CAS No. | 849055-55-6 |
| Molecular Formula | C18H11F3N2O2 |
| Molecular Weight | 344.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 344.29 g/mol gives 3-(3-(Trifluoromethyl)benzyl)benzofuro[3,2-d]pyrimidin-4(3H)-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3-(3-(Trifluoromethyl)benzyl)benzofuro[3,2-d]pyrimidin-4(3H)-one (CAS 849055-55-6), molecular formula C18H11F3N2O2 and molecular weight 344.29 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-(3-(Trifluoromethyl)benzyl)benzofuro[3,2-d]pyrimidin-4(3H)-one (C18H11F3N2O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 344.29 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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-(3-(Trifluoromethyl)benzyl)benzofuro[3,2-d]pyrimidin-4(3H)-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 | C18H11F3N2O2 |
| Molecular Weight | 344.29 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, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Trifluoromethyl Standards
- 1-(2-(4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl)ethyl)-3-(thiophen-2-ylmethyl)urea (CAS 1396751-99-7)
- 3-((4-(3-(Trifluoromethyl)phenoxy)piperidin-1-yl)methyl)pyrrolidin-3-ol (CAS 1378017-05-0)
- 2,8-Bis(trifluoromethyl)-4-bromoquinoline (CAS 35853-45-3)
- 2,4,6-Tris(trifluoromethyl)benzoyl chloride (CAS 135130-97-1)
- 3-[3,5-di(trifluoromethyl)phenyl]prop-2-ynyl 2-chloroacetate (CAS 680579-65-1)
- 3-[3,5-Bis(trifluoromethyl)phenyl]-5-chloro-1,2-oxazole-4-carbaldehyde (CAS 1354919-16-6)
- 4-(3-(Trifluoromethyl)benzyl)-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one (CAS 339105-95-2)
- N-(2-(3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)ethyl)thiophene-2-carboxamide (CAS 1796988-94-7)
Recommended Standards
- 2-Bromo-1-(2-(decylamino)-1H-imidazol-4-yl)ethanone (CAS 88723-48-2)
- 3-(4-Methoxyphenyl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-c]quinazoline (CAS 303149-02-2)
- (2S,3R,4S,5R,6R)-2-(((2R,3S,4R,5R,6R)-6-fluoro-4,5-dihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (CAS 7792-96-3)
- 4-(2-fluoro-4-nitrophenoxy)-6,7-dimethoxyquinoline (CAS 516526-44-6)
- 2-Propenoic acid, 1,1'-[oxybis(2,1-ethanediyloxy-2,1-ethanediyl)] ester, homopolymer (CAS 57619-91-7)
- 2-Amino-4-phenylpyrimidine-5-carbonitrile (CAS 264927-84-6)
- 1-(Azepan-1-yl)-2-((3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethan-1-one (CAS 863459-07-8)
- (S)-1-(2-Methoxybenzyl)pyrrolidin-3-amine dihydrochloride (CAS 169452-17-9)
- 2-Fluoro-4-iodo-1,3-dimethoxybenzene (CAS 905752-13-8)
- (2S,4S)-1-ISOPROPYL-4-METHOXY-PROLINE (CAS 1820571-30-9)
- 3-((1H-1,2,4-triazol-1-yl)methyl)-1-(6-chloropyridin-2-yl)-N-phenyl-1H-1,2,4-triazol-5-amine (CAS 338418-75-0)
- 2-Butynedioic acid, diethyl ester 762-21-0 Acetylenedicarboxylic acid, diethyl ester Bis-(Ethoxycarbonyl)acetylene Di-Ethyl acetylenedicarboxylate Diethyl acetylene dicarboxylate Diethyl acetylenedicarboxylate NSC-67975 NSC67975 WLN: 2OV1UU1VO2 (CAS 762-21-0)
- Pyridin-2-ol (CAS 72762-00-6)
- Semaglutide impurity 88 (CAS CATO-C4X-222688)
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