5-(2-Chloro-4-(trifluoromethyl)phenoxy)-3-methoxyisobenzofuran-1(3H)-one CAS 99199-11-8
| CAS No. | 99199-11-8 |
| Molecular Formula | C23H12Cl2N4O5 |
| Molecular Weight | 495.27 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
5-(2-Chloro-4-(trifluoromethyl)phenoxy)-3-methoxyisobenzofuran-1(3H)-one (CAS 99199-11-8), molecular formula C23H12Cl2N4O5 and molecular weight 495.27 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 5-(2-Chloro-4-(trifluoromethyl)phenoxy)-3-methoxyisobenzofuran-1(3H)-one (C23H12Cl2N4O5) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 19.0, corresponding to approximately 19 ring(s) or double-bond equivalent(s). With a molecular weight of 495.27 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.
As a certified reference material (CRM), 5-(2-Chloro-4-(trifluoromethyl)phenoxy)-3-methoxyisobenzofuran-1(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 | C23H12Cl2N4O5 |
| Molecular Weight | 495.27 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 19.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
Related Chloro Standards
- 3-Chloro-2-(3-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-1,2,4-triazol-3-yl}-1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine (CAS 303144-75-4)
- 3-(6-(4-Chloro-3-ethylphenoxy)hexyl)-2-(4-chlorophenyl)quinazolin-4(3H)-one (CAS 4641-33-2)
- N-(3-chloro-2-methylphenyl)-2-((5-((4-methoxyphenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 332912-76-2)
- N-(5-chloro-2-methylphenyl)-2-((5-((4-methoxyphenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 332912-74-0)
- 1-[[[5'-[[1-(4-Chloro-3-methylphenyl)ethyl]amino]-2'-fluoro-3,5-dimethyl[1,1'-biphenyl]-4-yl]carbonyl]amino]-cyclopropanecarboxylic Acid (CAS 1233332-37-0)
- N-(5-Chloro-2-methoxyphenyl)-2-(10-(morpholine-4-carbonyl)-3,4-dihydrobenzo[b][1,6]naphthyridin-2(1H)-yl)acetamide (CAS 1228168-21-5)
- 1-(((4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)sulfonyl)methyl)-7,7-dimethylbicyclo[2.2.1]Heptan-2-one oxime (CAS 1025625-73-3)
- N-(4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)thio)phenyl)naphthalene-2-sulfonamide (CAS 1023540-33-1)
Recommended Standards
- 3-(((2,6-Dichlorobenzyl)sulfinyl)methyl)-5-((2,6-dichlorobenzyl)thio)-4-methyl-4H-1,2,4-triazole (CAS 344271-79-0)
- 5-DTAF (CAS 51306-35-5)
- Ixazomib Impurity N1 (CAS 1201903-02-7)
- Methyl 4-[4-(4-iodobenzoyl)piperazin-1-yl]-3-nitrobenzoate (CAS 478246-42-3)
- 3-Bromo-N,N-bis(trimethylsilyl)propan-1-amine (CAS 172851-95-5)
- 4-Fluoro-3-methoxybenzylamine hydrochloride (CAS 869296-41-3)
- N-Cyclohexyl-5-methyl-11-oxo-5H,5aH,6H,7H,8H,9H,11H-pyrido[2,1-b]quinazoline-3-carboxamide (CAS 1574557-81-5)
- 4-(3-Isopropyl-1,2,4-oxadiazol-5-yl)-2-methylaniline (CAS 1040041-68-6)
- 2-((5-Amino-1,3,4-thiadiazol-2-yl)thio)-N-isopentylacetamide (CAS 849455-58-9)
- cis-7-Tetradecenol (CAS 40642-43-1)
- 2,7-dibromo-2H,4H-furo[3,2-c]pyridin-4-one (CAS 1822906-85-3)
- 2-(Pyridin-3-yl)imidazo[1,2-a]pyridin-3-amine (CAS 1215963-60-2)
- N-Methyl-3-oxo-1-pyrazolidinecarbothioamide (CAS 303994-98-1)
- Insulin Degludec Impurity 5 (CAS CATO-C4X-21575)
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