(3-Chlorophenyl)(5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-yl)methanone CAS 439109-72-5
| CAS No. | 439109-72-5 |
| Molecular Formula | C13H10ClF3N2O |
| Molecular Weight | 302.68 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.
(3-Chlorophenyl)(5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-yl)methanone (CAS 439109-72-5), molecular formula C13H10ClF3N2O and molecular weight 302.68 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, (3-Chlorophenyl)(5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-yl)methanone is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 302.68 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.
As a certified reference material (CRM), (3-Chlorophenyl)(5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-yl)methanone 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 | C13H10ClF3N2O |
| Molecular Weight | 302.68 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
Related Chlorophenyl Standards
- (4-chlorophenyl)[5-(trifluoromethyl)-6,7-dihydro-1H-1,4-diazepin-1-yl]methanone 439120-69-1 KS-00003GGP (CAS 439120-69-1)
- 2-(4-Chlorophenyl)-4-nitroisoindoline-1,3-dione (CAS 53555-03-6)
- N-(3-chlorophenyl)-3-(3-nitrophenyl)acrylamide (CAS 109567-63-7)
- 6-(4-Chlorophenyl)-3-ethylisoxazolo[5,4-b]pyridine-4-carboxylic acid (CAS 1263210-58-7)
- Methyl 2-[4-(4-chlorophenyl)-3-cyano-2-oxo-1,2-dihydropyridin-1-yl]acetate (CAS 478080-39-6)
- methyl 6-(4-chlorophenyl)-3-methylisoxazolo[5,4-b]pyridine-4-carboxylate (CAS 878124-87-9)
- 2-Acetyl-5-chlorophenyl trifluoromethanesulfonate (CAS 1051384-06-5)
- 1031605-64-7 7-(4-Chlorophenyl)-1-ethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione MFCD14716310 (CAS 1031605-64-7)
Recommended Standards
- 1-(Benzyloxy)-3-chloro-5-(trifluoromethoxy)benzene (CAS 1881293-38-4)
- 1-(7-Chloro-4-(dimethylamino)quinolin-3-yl)-2,2,2-trifluoroethanone (CAS 501947-42-8)
- 2-Chloro-N4-(Phenylmethyl)-6-(Trifluoromethyl)-4,5-Pyrimidinediamine (CAS 1743-95-9)
- 2-Chloro-N-[2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)phenyl]acetamide (CAS 664997-27-7)
- 5-Amino-2-(thiazol-2-ylamino)pyrimidin-4(1H)-one (CAS 77961-27-4)
- Ethyl 4-bromo-3-(tert-butyl)-1H-pyrazole-5-carboxylate (CAS 83405-75-8)
- 2-Methoxy-4-(methylsulfonyl)-N-(prop-2-yn-1-yl)aniline (CAS 2167366-86-9)
- {[6-(difluoromethoxy)-1,3-dioxaindan-5-yl]methyl}(methyl)amine (CAS 1249877-56-2)
- n-(1-(O-tolyl)ethyl)pentan-1-amine (CAS 1019587-40-6)
- 1-Bromo-1H-cyclobuta[de]naphthalene (CAS 54125-11-0)
- 3-Ethyl-5-methylthiazolidin-2-imine (CAS 565164-50-3)
- 4-Pyridin-4-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta-[c]quinoline-8-carboxylic acid 4190AE 485320-01-2 C18H16N2O2 (CAS 485320-01-2)
- 2-Amino-2-(3-methylisoxazol-5-yl)acetic acid (CAS 100114-42-9)
- Fragment-[7-31]-Liraglutide (CAS CATO-C4X-199239)
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