4-(3-(3-(2-Chloro-4-nitrophenoxy)propyl)ureido)-2-methylbenzene-1-sulfonyl fluoride CAS 25313-30-8
| CAS No. | 25313-30-8 |
| Molecular Formula | C17H17ClFN3O6S |
| Molecular Weight | 445.85 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 4-(3-(3-(2-Chloro-4-nitrophenoxy)propyl)ureido)-2-methylbenzene-1-sulfonyl fluoride.
4-(3-(3-(2-Chloro-4-nitrophenoxy)propyl)ureido)-2-methylbenzene-1-sulfonyl fluoride (CAS 25313-30-8), molecular formula C17H17ClFN3O6S and molecular weight 445.85 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C17H17ClFN3O6S, 4-(3-(3-(2-Chloro-4-nitrophenoxy)propyl)ureido)-2-methylbenzene-1-sulfonyl fluoride contains a flavonoid core, an amide group, a sulfone 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 445.85 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.
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 | C17H17ClFN3O6S |
| Molecular Weight | 445.85 g/mol |
| 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1964 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Chloro Standards
- 3-(3-(4-(2-Chloro-4-nitrophenoxy)butyl)ureido)benzene-1-sulfonyl fluoride (CAS 25313-31-9)
- 5-(3-(3-(2-Chloro-4-nitrophenoxy)propyl)ureido)-2-methylbenzene-1-sulfonyl fluoride (CAS 25313-28-4)
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Recommended Standards
- 2'-Amino-1-[(2-chlorophenyl)methyl]-7'-methyl-2,5'-dioxo-1,2-dihydro-5'H-spiro[indole-3,4'-pyrano[3,2-c]pyran]-3'-carbonitrile (CAS 900265-65-8)
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- (E)-1-(2-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)ethyl)-5-(3-(dimethylamino)acryloyl)-3-methylpyrimidine-2,4(1H,3H)-dione (CAS 338770-12-0)
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- 4-((2,4-Dichlorobenzyl)oxy)-3-ethoxybenzamide (CAS 1706428-37-6)
- 4-Fluoro-3-pentanoylphenylboronic acid (CAS 2096331-08-5)
- PACAP-Related Peptide (PRP), rat (CAS 132769-35-8)
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