3-(4-Oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-(4-(trifluoromethyl)phenyl)propanamide CAS 880810-66-2
| CAS No. | 880810-66-2 |
| Molecular Formula | C17H13F3N4O2 |
| Molecular Weight | 362.31 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-(4-Oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-(4-(trifluoromethyl)phenyl)propanamide is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 3-(4-Oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-(4-(trifluoromethyl)phenyl)propanamide (CAS 880810-66-2), a certified reference material (molecular formula C17H13F3N4O2, MW 362.31 g/mol) for analytical method development and quality control.
Structurally, 3-(4-Oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-(4-(trifluoromethyl)phenyl)propanamide (C17H13F3N4O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 362.31 g/mol, it falls into the moderately-high-molecular-weight range. 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.
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 | C17H13F3N4O2 |
| Molecular Weight | 362.31 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
Related Oxobenzo Standards
- Ethyl 2-(4-(3-oxobenzo[d][1,2]selenazol-2(3H)-yl)phenyl)acetate (CAS 81743-96-6)
- 4-(3-Oxobenzo[d][1,2]selenazol-2(3H)-yl)benzoic acid (CAS 153871-75-1)
- 2-Oxobenzo[d][1,3]oxathiol-5-yl 2-bromobenzoate (CAS 337496-15-8)
- 2-(4-(((2-Oxobenzo[d]oxazol-3(2H)-yl)methyl)amino)benzamido)acetic acid (CAS 67726-11-8)
- Ethyl 3-oxobenzo[d]isoxazole-2(3H)-carboxylate (CAS 73806-09-4)
- 2-(2-(2-Oxobenzo[d]thiazol-3(2H)-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid (CAS 755018-06-5)
- Ethyl 3-(3-(2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)ethyl)ureido)propanoate (CAS 2034376-23-1)
- ((S)-2-(4-Oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanoyl)-L-leucine (CAS 1173680-15-3)
Recommended Standards
- 2,6-difluoro-3-nitro-N-[4-(1,2,3-thiadiazol-4-yl)phenyl]benzamide (CAS 260554-94-7)
- 3-Methyl-1-(3-nitrophenyl)-4-(3-(trifluoromethyl)phenyl)-1H-pyrazol-5-amine (CAS 321391-73-5)
- N-Methyl-4-nitro-2-(4-(4-(trifluoromethyl)phenyl)-1H-imidazol-1-yl)aniline (CAS 1821387-73-8)
- 3-Methyl-1-(4-nitrophenyl)-4-(3-(trifluoromethyl)phenyl)-1H-pyrazol-5-amine (CAS 852690-94-9)
- (4-Amino-3-(methoxymethoxy)phenyl)diethylphosphine oxide (CAS 2903922-91-6)
- N-(6-(4-bromophenyl)-2-oxo-2H-pyran-3-yl)-4-chlorobenzamide (CAS 478043-22-0)
- (R)-2-methyl-1-(thiophen-2-yl)propan-1-amine (CAS 473733-06-1)
- (5-Bromo-2-chlorophenyl)(methyl)sulfane (CAS 740806-64-8)
- 2-(6-METHOXYNAPHTHALEN-2-YL)PIPERAZINE (CAS 914348-90-6)
- N,N-DImethyl-6-piperidin-4-ylpyridine-2-carboxamide dihydrochloride (CAS 1858242-40-6)
- S-(+)-N-Desmethyl Mephenytoin (CAS 65567-34-2)
- N-Me-Ser(tBu)-OH (CAS 197632-83-0)
- 1-(3-Aminophenyl)-2,5-pyrrolidinedione (CAS 31036-67-6)
- Mast Cell Degranulating Peptide HR-1 (CAS 80533-94-4)
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